1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile

C11H9F2NO2 — CID 84789933

IUPAC1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1c(F)cc(C2(C#N)CC2)c(O)c1F
InChIInChI=1S/C11H9F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3
InChIKeyWPTNZNKWFGSRBS-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.23
Rot. Bonds2

About 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile

1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84789933) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84789933
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1c(F)cc(C2(C#N)CC2)c(O)c1F
InChIInChI=1S/C11H9F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3
InChIKeyWPTNZNKWFGSRBS-UHFFFAOYSA-N
XLogP2.23
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-4-hydroxy-2-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84799468
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 84791665
1-(4-hydroxy-2-methoxy-3,5-dimethylphenyl)cyclopropane-1-carbonitrile
CID 84785258
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84772596
1-(2-hydroxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 131297017
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
1-(4-bromo-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carbonitrile
CID 84811748
1-(3,5-difluoro-2,4-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84787841
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile (CID 84789933) is 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile is COc1c(F)cc(C2(C#N)CC2)c(O)c1F.
What is the InChIKey of 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is WPTNZNKWFGSRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3H2,1H3.
What are the key properties of 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile?
1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 225.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84789933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).