1-(4-chlorophenyl)-3-fluoropropan-1-ol

C9H10ClFO — CID 146533212

IUPAC1-(4-chlorophenyl)-3-fluoropropan-1-ol
SMILESOC(CCF)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClFO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2
InChIKeyYOFRDAKFSQSLCC-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-chlorophenyl)-3-fluoropropan-1-ol

1-(4-chlorophenyl)-3-fluoropropan-1-ol (PubChem CID 146533212) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-fluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-fluoropropan-1-ol
PubChem CID146533212
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-(4-chlorophenyl)-3-fluoropropan-1-ol
SMILESOC(CCF)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClFO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2
InChIKeyYOFRDAKFSQSLCC-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-5-methylhexan-1-ol
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(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
CID 89213423
CID 89213423
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
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1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
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(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
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CID 174952192
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630833
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
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1-(4-chlorophenyl)-2-trimethylsilylethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-fluoropropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-fluoropropan-1-ol (CID 146533212) is 1-(4-chlorophenyl)-3-fluoropropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-fluoropropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-fluoropropan-1-ol is OC(CCF)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-fluoropropan-1-ol?
The InChIKey is YOFRDAKFSQSLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)-3-fluoropropan-1-ol?
1-(4-chlorophenyl)-3-fluoropropan-1-ol has a molecular weight of 188.63 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-fluoropropan-1-ol is sourced from PubChem (CID 146533212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).