1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile

C12H11F2NO2 — CID 82983638

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)cc2)CC1CO
InChIInChI=1S/C12H11F2NO2/c13-11(14)17-10-3-1-8(2-4-10)12(7-15)5-9(12)6-16/h1-4,9,11,16H,5-6H2
InChIKeyMXGAMRSLPNHDIV-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.06
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile

1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile (PubChem CID 82983638) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile
PubChem CID82983638
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)cc2)CC1CO
InChIInChI=1S/C12H11F2NO2/c13-11(14)17-10-3-1-8(2-4-10)12(7-15)5-9(12)6-16/h1-4,9,11,16H,5-6H2
InChIKeyMXGAMRSLPNHDIV-UHFFFAOYSA-N
XLogP2.06
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)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

Related Compounds

2-[4-(difluoromethoxy)phenyl]-7-oxaspiro[3.5]nonane-2-carbonitrile
CID 65006398
cis-(1R,2R)-1-(4-methoxyphenyl)-2-(2-trimethylsilylethyl)cyclopropane-1-carbonitrile
CID 139605415
3-tert-butyl-1-[4-(difluoromethoxy)phenyl]cyclobutan-1-amine
CID 65014563
1-[4-(difluoromethoxy)phenyl]cyclopent-3-ene-1-carboxylic acid
CID 65353342
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
cis-(1R,2S)-1-(4-chlorophenyl)-2-(phenylmethoxymethyl)cyclopropane-1-carbonitrile
CID 71526849
[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392053
3-cyclopropyl-2-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
CID 43156910
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
2-[[1-[4-(difluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carbonitrile
CID 135321220

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile (CID 82983638) is 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(OC(F)F)cc2)CC1CO.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is MXGAMRSLPNHDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-11(14)17-10-3-1-8(2-4-10)12(7-15)5-9(12)6-16/h1-4,9,11,16H,5-6H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 239.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(hydroxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 82983638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).