1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol

C9H10ClFO3 — CID 170817442

IUPAC1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFO3/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2
InChIKeyJTQVTZWWSUMDMD-UHFFFAOYSA-N
MW220.63 g/mol
LogP0.87
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol

1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol (PubChem CID 170817442) has the molecular formula C9H10ClFO3 and a molecular weight of 220.63 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
PubChem CID170817442
Molecular FormulaC9H10ClFO3
Molecular Weight220.63 g/mol
Exact Mass220.03
IUPAC Name1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFO3/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2
InChIKeyJTQVTZWWSUMDMD-UHFFFAOYSA-N
XLogP0.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(4-chloro-2-fluorophenyl)propane-1,2-diol
CID 171859552
1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817814
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
1-(4-chloro-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 103457370
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
4-(4-chloro-2-fluorophenyl)-4-hydroxy-3-methylbutanoic acid
CID 114859596
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
4-(4-chloro-2-fluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 114859613
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol (CID 170817442) is 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol is OCC(O)C(O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol?
The InChIKey is JTQVTZWWSUMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3/c10-5-1-2-6(7(11)3-5)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol?
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol has a molecular weight of 220.63 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).