1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile

C11H9ClFNO — CID 84790485

IUPAC1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(Cl)c(O)c(C2(C#N)CC2)c1F
InChIInChI=1S/C11H9ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3
InChIKeyQTJVQKHTNGGXTM-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.05
Rot. Bonds1

About 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile

1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 84790485) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID84790485
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(Cl)c(O)c(C2(C#N)CC2)c1F
InChIInChI=1S/C11H9ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3
InChIKeyQTJVQKHTNGGXTM-UHFFFAOYSA-N
XLogP3.05
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 84791665
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 84777399
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
1-(2-fluoro-3,6-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84777391
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane
CID 177007084
2-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)propanenitrile
CID 84783023
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84772596
1-(3-chloro-2,6-difluoro-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117439165
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84804566

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile (CID 84790485) is 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile is Cc1cc(Cl)c(O)c(C2(C#N)CC2)c1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is QTJVQKHTNGGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-6-4-7(12)10(15)8(9(6)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3.
What are the key properties of 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile?
1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 225.65 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84790485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).