1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile

C11H10FNO — CID 91618990

IUPAC1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc(F)c(C2(C#N)CC2)c1
InChIInChI=1S/C11H10FNO/c1-14-8-2-3-10(12)9(6-8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyFUOKOMCEJFPWRA-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile

1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 91618990) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID91618990
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1ccc(F)c(C2(C#N)CC2)c1
InChIInChI=1S/C11H10FNO/c1-14-8-2-3-10(12)9(6-8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyFUOKOMCEJFPWRA-UHFFFAOYSA-N
XLogP2.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile (CID 91618990) is 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile is COc1ccc(F)c(C2(C#N)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is FUOKOMCEJFPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-14-8-2-3-10(12)9(6-8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile?
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 191.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 91618990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).