1-(3-chloro-2-fluorophenyl)pentane-2,3-diol

C11H14ClFO2 — CID 103454687

IUPAC1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2/c1-2-9(14)10(15)6-7-4-3-5-8(12)11(7)13/h3-5,9-10,14-15H,2,6H2,1H3
InChIKeyHTQORQOHPZDWDW-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol

1-(3-chloro-2-fluorophenyl)pentane-2,3-diol (PubChem CID 103454687) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
PubChem CID103454687
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2/c1-2-9(14)10(15)6-7-4-3-5-8(12)11(7)13/h3-5,9-10,14-15H,2,6H2,1H3
InChIKeyHTQORQOHPZDWDW-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
1-(2,6-dichlorophenyl)pentane-2,3-diol
CID 103454648
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol (CID 103454687) is 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol is CCC(O)C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol?
The InChIKey is HTQORQOHPZDWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-2-9(14)10(15)6-7-4-3-5-8(12)11(7)13/h3-5,9-10,14-15H,2,6H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol?
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol has a molecular weight of 232.68 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)pentane-2,3-diol is sourced from PubChem (CID 103454687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).