3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile

C14H10F2N2 — CID 43657209

IUPAC3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2F)cc1F
InChIInChI=1S/C14H10F2N2/c1-9-2-4-11(7-12(9)15)18-14-5-3-10(8-17)6-13(14)16/h2-7,18H,1H3
InChIKeyJVXIWOSVJVOFFE-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.89
Rot. Bonds2

About 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile

3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile (PubChem CID 43657209) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
PubChem CID43657209
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
SMILESCc1ccc(Nc2ccc(C#N)cc2F)cc1F
InChIInChI=1S/C14H10F2N2/c1-9-2-4-11(7-12(9)15)18-14-5-3-10(8-17)6-13(14)16/h2-7,18H,1H3
InChIKeyJVXIWOSVJVOFFE-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

3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
CID 43657118
4-(4-bromo-3-methoxyanilino)-3-fluorobenzonitrile
CID 82867653
4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
3-fluoro-4-(3-iodoanilino)benzonitrile
CID 43657311
3-bromo-5-(3-fluoro-4-methylanilino)benzonitrile
CID 102815098
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
3-amino-4-(4-bromo-3-fluoroanilino)benzonitrile
CID 65436660
3-amino-4-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103584481

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile?
The IUPAC name of 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile (CID 43657209) is 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile is Cc1ccc(Nc2ccc(C#N)cc2F)cc1F.
What is the InChIKey of 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile?
The InChIKey is JVXIWOSVJVOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-9-2-4-11(7-12(9)15)18-14-5-3-10(8-17)6-13(14)16/h2-7,18H,1H3.
What are the key properties of 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile?
3-fluoro-4-(3-fluoro-4-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 3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile is sourced from PubChem (CID 43657209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).