2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile

C14H10F2N2 — CID 113295636

IUPAC2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
SMILESCc1c(F)cccc1Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C14H10F2N2/c1-9-12(15)3-2-4-14(9)18-11-6-5-10(8-17)13(16)7-11/h2-7,18H,1H3
InChIKeyVNPHCMWDLOCIMV-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.89
Rot. Bonds2

About 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile

2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile (PubChem CID 113295636) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
PubChem CID113295636
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
SMILESCc1c(F)cccc1Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C14H10F2N2/c1-9-12(15)3-2-4-14(9)18-11-6-5-10(8-17)13(16)7-11/h2-7,18H,1H3
InChIKeyVNPHCMWDLOCIMV-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

4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
CID 106759948
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
4-(4-bromo-2,5-difluoroanilino)-2-fluorobenzonitrile
CID 107612112
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 115367088
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
4-(2,3-difluoroanilino)benzonitrile
CID 61076836

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile?
The IUPAC name of 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile (CID 113295636) is 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile?
The canonical SMILES for 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile is Cc1c(F)cccc1Nc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile?
The InChIKey is VNPHCMWDLOCIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-9-12(15)3-2-4-14(9)18-11-6-5-10(8-17)13(16)7-11/h2-7,18H,1H3.
What are the key properties of 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile?
2-fluoro-4-(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 2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile is sourced from PubChem (CID 113295636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).