2-fluoro-3-(3-fluorobenzoyl)benzonitrile

C14H7F2NO — CID 174421745

IUPAC2-fluoro-3-(3-fluorobenzoyl)benzonitrile
SMILESN#Cc1cccc(C(=O)c2cccc(F)c2)c1F
InChIInChI=1S/C14H7F2NO/c15-11-5-1-3-9(7-11)14(18)12-6-2-4-10(8-17)13(12)16/h1-7H
InChIKeyQOGOHLHZJXBZJN-UHFFFAOYSA-N
MW243.21 g/mol
LogP3.07
Rot. Bonds2

About 2-fluoro-3-(3-fluorobenzoyl)benzonitrile

2-fluoro-3-(3-fluorobenzoyl)benzonitrile (PubChem CID 174421745) has the molecular formula C14H7F2NO and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluorobenzoyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(3-fluorobenzoyl)benzonitrile
PubChem CID174421745
Molecular FormulaC14H7F2NO
Molecular Weight243.21 g/mol
Exact Mass243.05
IUPAC Name2-fluoro-3-(3-fluorobenzoyl)benzonitrile
SMILESN#Cc1cccc(C(=O)c2cccc(F)c2)c1F
InChIInChI=1S/C14H7F2NO/c15-11-5-1-3-9(7-11)14(18)12-6-2-4-10(8-17)13(12)16/h1-7H
InChIKeyQOGOHLHZJXBZJN-UHFFFAOYSA-N
XLogP3.07
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
methyl 3-cyano-2-fluorobenzoate
CID 91882344
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
3-(3-chlorobenzoyl)benzene-1,2-dicarbonitrile
CID 135034380
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
[2-[2-(3-fluorobenzoyl)phenoxy]phenyl]-(3-hydroxyphenyl)methanone
CID 139890668
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
CID 104789310
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-fluorobenzoyl)benzonitrile?
The IUPAC name of 2-fluoro-3-(3-fluorobenzoyl)benzonitrile (CID 174421745) is 2-fluoro-3-(3-fluorobenzoyl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(3-fluorobenzoyl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(3-fluorobenzoyl)benzonitrile is N#Cc1cccc(C(=O)c2cccc(F)c2)c1F.
What is the InChIKey of 2-fluoro-3-(3-fluorobenzoyl)benzonitrile?
The InChIKey is QOGOHLHZJXBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO/c15-11-5-1-3-9(7-11)14(18)12-6-2-4-10(8-17)13(12)16/h1-7H.
What are the key properties of 2-fluoro-3-(3-fluorobenzoyl)benzonitrile?
2-fluoro-3-(3-fluorobenzoyl)benzonitrile has a molecular weight of 243.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluorobenzoyl)benzonitrile is sourced from PubChem (CID 174421745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).