EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V4WLW77V5Q

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V4WLW77V5Q


InChI Key	FVYUQFQCEOZYHZ-UHFFFAOYSA-N
Smiles	CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F
InChI	InChI=1/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3

InChI Key

FVYUQFQCEOZYHZ-UHFFFAOYSA-N

Smiles

CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F

InChI

InChI=1/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3

Property Name	Value
Molecular Formula	C14H18F3NO
Molecular Weight	273.13
AlogP	3.49
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	12.47
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H18F3NO

Molecular Weight

273.13

AlogP

3.49

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

12.47

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	26629-87-8
NORMAN SUSDAT
FDA SRS	V4WLW77V5Q

Resources

Reference

CAS NUMBER

26629-87-8

NORMAN SUSDAT

FDA SRS

V4WLW77V5Q

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OXAFLOZANE

Structure

Physicochemical Descriptors

Cross References