1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol

C12H14F2O — CID 117302979

IUPAC1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
SMILESCc1cc(CC2(O)CC2)cc(F)c1CF
InChIInChI=1S/C12H14F2O/c1-8-4-9(6-12(15)2-3-12)5-11(14)10(8)7-13/h4-5,15H,2-3,6-7H2,1H3
InChIKeyZUVNTCAPKPUANV-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.67
Rot. Bonds3

About 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol

1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol (PubChem CID 117302979) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
PubChem CID117302979
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
SMILESCc1cc(CC2(O)CC2)cc(F)c1CF
InChIInChI=1S/C12H14F2O/c1-8-4-9(6-12(15)2-3-12)5-11(14)10(8)7-13/h4-5,15H,2-3,6-7H2,1H3
InChIKeyZUVNTCAPKPUANV-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol (CID 117302979) is 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol is Cc1cc(CC2(O)CC2)cc(F)c1CF.
What is the InChIKey of 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol?
The InChIKey is ZUVNTCAPKPUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8-4-9(6-12(15)2-3-12)5-11(14)10(8)7-13/h4-5,15H,2-3,6-7H2,1H3.
What are the key properties of 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol?
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117302979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).