1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile

C11H9F2N — CID 84772596

IUPAC1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(F)c(F)cc1C1(C#N)CC1
InChIInChI=1S/C11H9F2N/c1-7-4-9(12)10(13)5-8(7)11(6-14)2-3-11/h4-5H,2-3H2,1H3
InChIKeyPKPVSDDRNWGNST-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.83
Rot. Bonds1

About 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile

1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 84772596) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID84772596
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(F)c(F)cc1C1(C#N)CC1
InChIInChI=1S/C11H9F2N/c1-7-4-9(12)10(13)5-8(7)11(6-14)2-3-11/h4-5H,2-3H2,1H3
InChIKeyPKPVSDDRNWGNST-UHFFFAOYSA-N
XLogP2.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluoro-2,4-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84787841
1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
CID 83716267
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
CID 177016890
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 84789933
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 84777399
1-(4-bromo-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carbonitrile
CID 84811748
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
CID 84790485

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile (CID 84772596) is 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile is Cc1cc(F)c(F)cc1C1(C#N)CC1.
What is the InChIKey of 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is PKPVSDDRNWGNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c1-7-4-9(12)10(13)5-8(7)11(6-14)2-3-11/h4-5H,2-3H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile?
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 193.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84772596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).