2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile

C14H7F4NO — CID 134628099

IUPAC2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2OC(F)(F)F)cc1F
InChIInChI=1S/C14H7F4NO/c15-12-7-9(5-6-10(12)8-19)11-3-1-2-4-13(11)20-14(16,17)18/h1-7H
InChIKeyQARZYVKTDUMWHU-UHFFFAOYSA-N
MW281.21 g/mol
LogP4.26
Rot. Bonds2

About 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile

2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile (PubChem CID 134628099) has the molecular formula C14H7F4NO and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
PubChem CID134628099
Molecular FormulaC14H7F4NO
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC Name2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccccc2OC(F)(F)F)cc1F
InChIInChI=1S/C14H7F4NO/c15-12-7-9(5-6-10(12)8-19)11-3-1-2-4-13(11)20-14(16,17)18/h1-7H
InChIKeyQARZYVKTDUMWHU-UHFFFAOYSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2-[3,6-bis(4-cyano-3-fluorophenyl)-2,7-bis(trifluoromethoxy)fluoren-9-ylidene]propanedinitrile
CID 146535483
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
3-fluoro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626601
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
3-methoxy-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 172989952
3-chloro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134629802
4-[2-[4-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]benzonitrile
CID 57031804
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile (CID 134628099) is 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile is N#Cc1ccc(-c2ccccc2OC(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile?
The InChIKey is QARZYVKTDUMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4NO/c15-12-7-9(5-6-10(12)8-19)11-3-1-2-4-13(11)20-14(16,17)18/h1-7H.
What are the key properties of 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile?
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile has a molecular weight of 281.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile is sourced from PubChem (CID 134628099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).