1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol

C12H14F2O2 — CID 117328612

IUPAC1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1ccc(C(F)F)c(CC2(O)CC2)c1
InChIInChI=1S/C12H14F2O2/c1-16-9-2-3-10(11(13)14)8(6-9)7-12(15)4-5-12/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeySOROJVITAUFQNQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.70
Rot. Bonds4

About 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol

1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol (PubChem CID 117328612) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
PubChem CID117328612
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1ccc(C(F)F)c(CC2(O)CC2)c1
InChIInChI=1S/C12H14F2O2/c1-16-9-2-3-10(11(13)14)8(6-9)7-12(15)4-5-12/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeySOROJVITAUFQNQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 141095478
1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
CID 117330484
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
CID 117305190
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
4-[(2-bromo-5-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-ol
CID 65328049
4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 65327796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol (CID 117328612) is 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol is COc1ccc(C(F)F)c(CC2(O)CC2)c1.
What is the InChIKey of 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol?
The InChIKey is SOROJVITAUFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-9-2-3-10(11(13)14)8(6-9)7-12(15)4-5-12/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol?
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117328612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).