6-chloro-2-fluoro-3-phenylbenzonitrile

C13H7ClFN — CID 138975790

IUPAC6-chloro-2-fluoro-3-phenylbenzonitrile
SMILESN#Cc1c(Cl)ccc(-c2ccccc2)c1F
InChIInChI=1S/C13H7ClFN/c14-12-7-6-10(13(15)11(12)8-16)9-4-2-1-3-5-9/h1-7H
InChIKeyFZAYSWCBEVEVDT-UHFFFAOYSA-N
MW231.66 g/mol
LogP4.02
Rot. Bonds1

About 6-chloro-2-fluoro-3-phenylbenzonitrile

6-chloro-2-fluoro-3-phenylbenzonitrile (PubChem CID 138975790) has the molecular formula C13H7ClFN and a molecular weight of 231.66 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-phenylbenzonitrile.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-phenylbenzonitrile
PubChem CID138975790
Molecular FormulaC13H7ClFN
Molecular Weight231.66 g/mol
Exact Mass231.03
IUPAC Name6-chloro-2-fluoro-3-phenylbenzonitrile
SMILESN#Cc1c(Cl)ccc(-c2ccccc2)c1F
InChIInChI=1S/C13H7ClFN/c14-12-7-6-10(13(15)11(12)8-16)9-4-2-1-3-5-9/h1-7H
InChIKeyFZAYSWCBEVEVDT-UHFFFAOYSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-phenylbenzonitrile?
The IUPAC name of 6-chloro-2-fluoro-3-phenylbenzonitrile (CID 138975790) is 6-chloro-2-fluoro-3-phenylbenzonitrile.
What is the SMILES notation for 6-chloro-2-fluoro-3-phenylbenzonitrile?
The canonical SMILES for 6-chloro-2-fluoro-3-phenylbenzonitrile is N#Cc1c(Cl)ccc(-c2ccccc2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-phenylbenzonitrile?
The InChIKey is FZAYSWCBEVEVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN/c14-12-7-6-10(13(15)11(12)8-16)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 6-chloro-2-fluoro-3-phenylbenzonitrile?
6-chloro-2-fluoro-3-phenylbenzonitrile has a molecular weight of 231.66 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-phenylbenzonitrile is sourced from PubChem (CID 138975790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).