(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol

C9H10ClFO — CID 11480918

IUPAC(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
SMILESO[C@@H](CCCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2/t9-/m0/s1
InChIKeyGQGPYILQJAINSJ-VIFPVBQESA-N
MW188.63 g/mol
LogP2.49
Rot. Bonds3

About (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol

(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol (PubChem CID 11480918) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
PubChem CID11480918
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
SMILESO[C@@H](CCCl)c1ccc(F)cc1
InChIInChI=1S/C9H10ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2/t9-/m0/s1
InChIKeyGQGPYILQJAINSJ-VIFPVBQESA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 165357232
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
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1-(4-fluorophenyl)-4-sulfanylbutan-1-ol
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1-(4-fluorophenyl)dodecan-1-ol
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[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
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3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
CID 70173310
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
CID 157370219
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274

Frequently Asked Questions

What is the IUPAC name of (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol (CID 11480918) is (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is O[C@@H](CCCl)c1ccc(F)cc1.
What is the InChIKey of (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is GQGPYILQJAINSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,9,12H,5-6H2/t9-/m0/s1.
What are the key properties of (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol?
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 188.63 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 11480918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).