1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol

C9H8ClFO — CID 107993183

IUPAC1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
SMILESOC1(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C9H8ClFO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKeyLAOFCKZZROSAHU-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.46
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol

1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol (PubChem CID 107993183) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
PubChem CID107993183
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
SMILESOC1(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C9H8ClFO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKeyLAOFCKZZROSAHU-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol (CID 107993183) is 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol is OC1(c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol?
The InChIKey is LAOFCKZZROSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol?
1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol has a molecular weight of 186.61 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 107993183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).