4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile

C15H9F2N3O — CID 139814017

IUPAC4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile
SMILESCOc1c(F)c(C#N)c(C#N)c(F)c1Nc1ccccc1
InChIInChI=1S/C15H9F2N3O/c1-21-15-13(17)11(8-19)10(7-18)12(16)14(15)20-9-5-3-2-4-6-9/h2-6,20H,1H3
InChIKeyAVNKJJTWBNOLNK-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.46
Rot. Bonds3

About 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile

4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile (PubChem CID 139814017) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile
PubChem CID139814017
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile
SMILESCOc1c(F)c(C#N)c(C#N)c(F)c1Nc1ccccc1
InChIInChI=1S/C15H9F2N3O/c1-21-15-13(17)11(8-19)10(7-18)12(16)14(15)20-9-5-3-2-4-6-9/h2-6,20H,1H3
InChIKeyAVNKJJTWBNOLNK-UHFFFAOYSA-N
XLogP3.46
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-3,6-difluoro-5-[(2-methylpropan-2-yl)oxy]benzene-1,2-dicarbonitrile
CID 139814110
4-anilino-3,6-difluoro-5-(4-methoxyanilino)benzene-1,2-dicarbonitrile
CID 139814018
3,4,6-trifluoro-5-(4-methoxyanilino)benzene-1,2-dicarbonitrile
CID 23088249
3,6-difluoro-4-methoxy-5-phenoxybenzene-1,2-dicarbonitrile
CID 139615505
3,6-difluoro-4-methoxy-5-phenylsulfanylbenzene-1,2-dicarbonitrile
CID 139615522
4,5-diethoxy-3-(4-ethoxyanilino)-6-fluorobenzene-1,2-dicarbonitrile
CID 139814086
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
N-(2-cyano-5-fluoro-6-methoxy-3-methyl-4-phenylphenyl)-2,2,2-trifluoroacetamide
CID 86630810
2-amino-4-fluoro-3-methoxy-6-methyl-5-phenylbenzonitrile
CID 86097441
4-butylsulfanyl-3,6-difluoro-5-(3-methoxyanilino)benzene-1,2-dicarbonitrile
CID 139814099
2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile
CID 126539466
2-(3,4-dicyano-2,5-difluoro-6-methoxyphenyl)acetic acid
CID 139844769

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile (CID 139814017) is 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile is COc1c(F)c(C#N)c(C#N)c(F)c1Nc1ccccc1.
What is the InChIKey of 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile?
The InChIKey is AVNKJJTWBNOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c1-21-15-13(17)11(8-19)10(7-18)12(16)14(15)20-9-5-3-2-4-6-9/h2-6,20H,1H3.
What are the key properties of 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile?
4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile has a molecular weight of 285.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3,6-difluoro-5-methoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 139814017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).