1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile

C12H12FNO2 — CID 84787805

IUPAC1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1cc(F)c(C2(C#N)CC2)c(OC)c1
InChIInChI=1S/C12H12FNO2/c1-15-8-5-9(13)11(10(6-8)16-2)12(7-14)3-4-12/h5-6H,3-4H2,1-2H3
InChIKeyQNYVHJAQMFVHCL-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.40
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile

1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84787805) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84787805
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1cc(F)c(C2(C#N)CC2)c(OC)c1
InChIInChI=1S/C12H12FNO2/c1-15-8-5-9(13)11(10(6-8)16-2)12(7-14)3-4-12/h5-6H,3-4H2,1-2H3
InChIKeyQNYVHJAQMFVHCL-UHFFFAOYSA-N
XLogP2.40
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84787792
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
CID 158197915
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile
CID 82295249
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 116841871

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile (CID 84787805) is 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile is COc1cc(F)c(C2(C#N)CC2)c(OC)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is QNYVHJAQMFVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-15-8-5-9(13)11(10(6-8)16-2)12(7-14)3-4-12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile?
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84787805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).