5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile

C14H10F2N2 — CID 63667348

IUPAC5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
SMILESCc1c(F)cccc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H10F2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3
InChIKeyKDQALGRCHMMJMS-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.89
Rot. Bonds2

About 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile

5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile (PubChem CID 63667348) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
PubChem CID63667348
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
SMILESCc1c(F)cccc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H10F2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3
InChIKeyKDQALGRCHMMJMS-UHFFFAOYSA-N
XLogP3.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(2-amino-4-methylanilino)-5-fluorobenzonitrile
CID 82013404
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
2-(2-bromoanilino)-5-fluorobenzonitrile
CID 55232513
5-chloro-2-(3-chloro-2-methylanilino)benzonitrile
CID 63516498
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2,4-dichloroanilino)-5-fluorobenzonitrile
CID 63668512
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile?
The IUPAC name of 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile (CID 63667348) is 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile?
The canonical SMILES for 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile is Cc1c(F)cccc1Nc1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile?
The InChIKey is KDQALGRCHMMJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-9-12(16)3-2-4-13(9)18-14-6-5-11(15)7-10(14)8-17/h2-7,18H,1H3.
What are the key properties of 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile?
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile is sourced from PubChem (CID 63667348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).