Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LNP3JG2C8L
EPA CompTox DTXSID6060341

Structure

InChI Key USAAEUHMVCSUQS-UHFFFAOYSA-N
Smiles FC1(F)C(F)(F)C(F)(F)C(F)(F)C(N1C(F)(F)C(F)(F)F)(F)F
InChI
InChI=1S/C7F15N/c8-1(9)2(10,11)5(17,18)23(6(19,20)3(1,12)13)7(21,22)4(14,15)16

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F15N1
Molecular Weight 382.98
AlogP 4.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 564-11-4
NORMAN SUSDAT
FDA SRS LNP3JG2C8L
PubChem 68425
ChemSpider 61708.0