2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile

C13H6ClF2N — CID 166879385

IUPAC2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccc(F)c1Cl
InChIInChI=1S/C13H6ClF2N/c14-13-10(2-1-3-12(13)16)11-6-9(15)5-4-8(11)7-17/h1-6H
InChIKeyWVXRFUQGFPRXKB-UHFFFAOYSA-N
MW249.65 g/mol
LogP4.16
Rot. Bonds1

About 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile

2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile (PubChem CID 166879385) has the molecular formula C13H6ClF2N and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile
PubChem CID166879385
Molecular FormulaC13H6ClF2N
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccc(F)c1Cl
InChIInChI=1S/C13H6ClF2N/c14-13-10(2-1-3-12(13)16)11-6-9(15)5-4-8(11)7-17/h1-6H
InChIKeyWVXRFUQGFPRXKB-UHFFFAOYSA-N
XLogP4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)benzonitrile
CID 134630053
2-(2,4-difluorophenyl)-4-fluorobenzonitrile
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4-(2-chloro-3-fluorophenyl)-3-fluorobenzonitrile
CID 142565604
2-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172915525
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
2-(2,3-dichlorophenyl)-4-(trifluoromethoxy)benzonitrile
CID 172989669
3-amino-5-(2-chloro-3-fluorophenyl)thiophene-2-carbonitrile
CID 81460998
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
4-fluoro-2-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529524
2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 107909421
2-(2-chloro-3-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508038
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile (CID 166879385) is 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile is N#Cc1ccc(F)cc1-c1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile?
The InChIKey is WVXRFUQGFPRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N/c14-13-10(2-1-3-12(13)16)11-6-9(15)5-4-8(11)7-17/h1-6H.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile?
2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile has a molecular weight of 249.65 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-4-fluorobenzonitrile is sourced from PubChem (CID 166879385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).