2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile

C14H10F2N2 — CID 113295659

IUPAC2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H10F2N2/c1-18(12-6-3-11(15)4-7-12)13-5-2-10(9-17)14(16)8-13/h2-8H,1H3
InChIKeySAFKIZYBCDZCIN-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.60
Rot. Bonds2

About 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile

2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile (PubChem CID 113295659) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
PubChem CID113295659
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H10F2N2/c1-18(12-6-3-11(15)4-7-12)13-5-2-10(9-17)14(16)8-13/h2-8H,1H3
InChIKeySAFKIZYBCDZCIN-UHFFFAOYSA-N
XLogP3.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluoro-N-methylanilino)-2-nitrobenzonitrile
CID 115501128
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
CID 62938149
2-fluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 115367259
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
2-(4-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673596
2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
CID 115367607
2-fluoro-6-(4-fluoro-N-methylanilino)benzonitrile
CID 79513223
2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107735142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile?
The IUPAC name of 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile (CID 113295659) is 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile?
The canonical SMILES for 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile is CN(c1ccc(F)cc1)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile?
The InChIKey is SAFKIZYBCDZCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-18(12-6-3-11(15)4-7-12)13-5-2-10(9-17)14(16)8-13/h2-8H,1H3.
What are the key properties of 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile?
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile is sourced from PubChem (CID 113295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).