2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile

C10H3F2N3 — CID 167515087

IUPAC2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile
SMILESCc1c(C#N)c(F)c(C#N)c(F)c1C#N
InChIInChI=1S/C10H3F2N3/c1-5-6(2-13)9(11)8(4-15)10(12)7(5)3-14/h1H3
InChIKeyYGQKSQNIUYDGJI-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.89
Rot. Bonds

About 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile

2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile (PubChem CID 167515087) has the molecular formula C10H3F2N3 and a molecular weight of 203.15 g/mol. Its IUPAC name is 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile
PubChem CID167515087
Molecular FormulaC10H3F2N3
Molecular Weight203.15 g/mol
Exact Mass203.03
IUPAC Name2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile
SMILESCc1c(C#N)c(F)c(C#N)c(F)c1C#N
InChIInChI=1S/C10H3F2N3/c1-5-6(2-13)9(11)8(4-15)10(12)7(5)3-14/h1H3
InChIKeyYGQKSQNIUYDGJI-UHFFFAOYSA-N
XLogP1.89
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
CID 12745042
2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile;2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile
CID 87620295
4-[cyano-[2-[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]-3-[cyano-(2,3,5,6-tetrafluoro-4-methylphenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile
CID 163567189
2,4,5-trimethylthiophene-3-carbonitrile
CID 20818008
4-cyano-2,5-difluoro-3-methoxy-6-methylbenzoic acid
CID 164945972
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
CID 90143685
3-chloro-2,4,5,6-tetrafluorobenzonitrile
CID 11615422
3,5-difluoro-4-methylpyridine-2,6-dicarbonitrile
CID 167515078
2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
CID 161179009
2-formyl-4,6-dimethylbenzene-1,3,5-tricarbonitrile
CID 20510505
2,3,5,6-tetrafluoro-4-formylbenzonitrile
CID 131607107
5-methyl-2,4,6-tris(trifluoromethyl)benzene-1,3-dicarbonitrile
CID 167515077

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile?
The IUPAC name of 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile (CID 167515087) is 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile is Cc1c(C#N)c(F)c(C#N)c(F)c1C#N.
What is the InChIKey of 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile?
The InChIKey is YGQKSQNIUYDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F2N3/c1-5-6(2-13)9(11)8(4-15)10(12)7(5)3-14/h1H3.
What are the key properties of 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile?
2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile has a molecular weight of 203.15 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 167515087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).