2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile

C15H9F4NO — CID 118822081

IUPAC2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
SMILESN#CCc1cc(F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F4NO/c16-11-5-6-12(10(9-11)7-8-20)13-3-1-2-4-14(13)21-15(17,18)19/h1-6,9H,7H2
InChIKeyTZBAWOFVTYXABY-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.46
Rot. Bonds3

About 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile

2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile (PubChem CID 118822081) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
PubChem CID118822081
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
SMILESN#CCc1cc(F)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F4NO/c16-11-5-6-12(10(9-11)7-8-20)13-3-1-2-4-14(13)21-15(17,18)19/h1-6,9H,7H2
InChIKeyTZBAWOFVTYXABY-UHFFFAOYSA-N
XLogP4.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619444
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-[6-fluoro-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133093982
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile?
The IUPAC name of 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile (CID 118822081) is 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile is N#CCc1cc(F)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile?
The InChIKey is TZBAWOFVTYXABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c16-11-5-6-12(10(9-11)7-8-20)13-3-1-2-4-14(13)21-15(17,18)19/h1-6,9H,7H2.
What are the key properties of 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile?
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile has a molecular weight of 295.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile is sourced from PubChem (CID 118822081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).