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

C10H12ClFO2 — CID 103452798

IUPAC1-(3-chloro-2-fluorophenyl)butane-2,3-diol
SMILESCC(O)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H12ClFO2/c1-6(13)9(14)5-7-3-2-4-8(11)10(7)12/h2-4,6,9,13-14H,5H2,1H3
InChIKeyMCHKSQGREDUURS-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.76
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)butane-2,3-diol (PubChem CID 103452798) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)butane-2,3-diol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)butane-2,3-diol
PubChem CID103452798
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name1-(3-chloro-2-fluorophenyl)butane-2,3-diol
SMILESCC(O)C(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C10H12ClFO2/c1-6(13)9(14)5-7-3-2-4-8(11)10(7)12/h2-4,6,9,13-14H,5H2,1H3
InChIKeyMCHKSQGREDUURS-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.76
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)pentane-2,3-diol
CID 103454687
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)butane-2,3-diol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)butane-2,3-diol (CID 103452798) is 1-(3-chloro-2-fluorophenyl)butane-2,3-diol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)butane-2,3-diol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)butane-2,3-diol is CC(O)C(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)butane-2,3-diol?
The InChIKey is MCHKSQGREDUURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c1-6(13)9(14)5-7-3-2-4-8(11)10(7)12/h2-4,6,9,13-14H,5H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)butane-2,3-diol?
1-(3-chloro-2-fluorophenyl)butane-2,3-diol has a molecular weight of 218.65 g/mol, XLogP of 1.76, 3 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)butane-2,3-diol is sourced from PubChem (CID 103452798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).