2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile

C15H9F4N — CID 134630126

IUPAC2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
SMILESN#CCc1cc(F)cc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9F4N/c16-14-7-10(4-5-20)6-12(9-14)11-2-1-3-13(8-11)15(17,18)19/h1-3,6-9H,4H2
InChIKeyAPWKKAYOGPALEI-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.58
Rot. Bonds2

About 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile

2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile (PubChem CID 134630126) has the molecular formula C15H9F4N and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
PubChem CID134630126
Molecular FormulaC15H9F4N
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
SMILESN#CCc1cc(F)cc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9F4N/c16-14-7-10(4-5-20)6-12(9-14)11-2-1-3-13(8-11)15(17,18)19/h1-3,6-9H,4H2
InChIKeyAPWKKAYOGPALEI-UHFFFAOYSA-N
XLogP4.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316264
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822
2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
CID 46313415
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134626403
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The IUPAC name of 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile (CID 134630126) is 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile is N#CCc1cc(F)cc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile?
The InChIKey is APWKKAYOGPALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N/c16-14-7-10(4-5-20)6-12(9-14)11-2-1-3-13(8-11)15(17,18)19/h1-3,6-9H,4H2.
What are the key properties of 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile?
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile has a molecular weight of 279.24 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile is sourced from PubChem (CID 134630126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).