2-(2-cyanoanilino)-6-fluorobenzonitrile

C14H8FN3 — CID 43580771

IUPAC2-(2-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccccc1Nc1cccc(F)c1C#N
InChIInChI=1S/C14H8FN3/c15-12-5-3-7-14(11(12)9-17)18-13-6-2-1-4-10(13)8-16/h1-7,18H
InChIKeyHFGKAVKLDNIZLB-UHFFFAOYSA-N
MW237.24 g/mol
LogP3.31
Rot. Bonds2

About 2-(2-cyanoanilino)-6-fluorobenzonitrile

2-(2-cyanoanilino)-6-fluorobenzonitrile (PubChem CID 43580771) has the molecular formula C14H8FN3 and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-cyanoanilino)-6-fluorobenzonitrile
PubChem CID43580771
Molecular FormulaC14H8FN3
Molecular Weight237.24 g/mol
Exact Mass237.07
IUPAC Name2-(2-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccccc1Nc1cccc(F)c1C#N
InChIInChI=1S/C14H8FN3/c15-12-5-3-7-14(11(12)9-17)18-13-6-2-1-4-10(13)8-16/h1-7,18H
InChIKeyHFGKAVKLDNIZLB-UHFFFAOYSA-N
XLogP3.31
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
4-(2-cyano-3-fluoroanilino)-3-fluorobenzoic acid
CID 79513008
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(2-bromoanilino)benzonitrile
CID 28602037

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(2-cyanoanilino)-6-fluorobenzonitrile (CID 43580771) is 2-(2-cyanoanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-cyanoanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-cyanoanilino)-6-fluorobenzonitrile is N#Cc1ccccc1Nc1cccc(F)c1C#N.
What is the InChIKey of 2-(2-cyanoanilino)-6-fluorobenzonitrile?
The InChIKey is HFGKAVKLDNIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3/c15-12-5-3-7-14(11(12)9-17)18-13-6-2-1-4-10(13)8-16/h1-7,18H.
What are the key properties of 2-(2-cyanoanilino)-6-fluorobenzonitrile?
2-(2-cyanoanilino)-6-fluorobenzonitrile has a molecular weight of 237.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 43580771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).