2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile

C13H7ClF2N2 — CID 78911086

IUPAC2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7ClF2N2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-6,18H
InChIKeyHOBPVLRXQNBAAW-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.23
Rot. Bonds2

About 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile

2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile (PubChem CID 78911086) has the molecular formula C13H7ClF2N2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
PubChem CID78911086
Molecular FormulaC13H7ClF2N2
Molecular Weight264.66 g/mol
Exact Mass264.03
IUPAC Name2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7ClF2N2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-6,18H
InChIKeyHOBPVLRXQNBAAW-UHFFFAOYSA-N
XLogP4.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
CID 71972950
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
CID 78916069
2-[(1-tert-butylpyrazol-4-yl)amino]-6-fluorobenzonitrile
CID 52855545
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
CID 103583178

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile (CID 78911086) is 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile?
The InChIKey is HOBPVLRXQNBAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2/c14-10-6-8(4-5-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-6,18H.
What are the key properties of 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile?
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile has a molecular weight of 264.66 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 78911086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).