(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one

C10H10ClFO2 — CID 130684480

IUPAC(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one
SMILESCC(=O)C[C@@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-6(13)4-10(14)7-2-3-9(12)8(11)5-7/h2-3,5,10,14H,4H2,1H3/t10-/m1/s1
InChIKeyMVYXUWDEAXCYDT-SNVBAGLBSA-N
MW216.64 g/mol
LogP2.49
Rot. Bonds3

About (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one

(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one (PubChem CID 130684480) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one
PubChem CID130684480
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one
SMILESCC(=O)C[C@@H](O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-6(13)4-10(14)7-2-3-9(12)8(11)5-7/h2-3,5,10,14H,4H2,1H3/t10-/m1/s1
InChIKeyMVYXUWDEAXCYDT-SNVBAGLBSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, 2-(p-chloro-alpha-hydroxybenzyl)-
CID 3045878
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(S)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 5324675
(1S)-1-(3-chlorophenyl)ethan-1-ol
CID 6950741
1-(3-Chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol
CID 142726649
3-Chloro-alpha-methylbenzenemethanol
CID 97779
(1S)-1-(3-chlorophenyl)propan-1-ol
CID 11116501
(1R)-1-(3-chlorophenyl)ethan-1-ol
CID 6950742
3-(4-Chlorophenyl)-3-hydroxypropanoic acid
CID 11390037

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one?
The IUPAC name of (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one (CID 130684480) is (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one.
What is the SMILES notation for (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one?
The canonical SMILES for (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one is CC(=O)C[C@@H](O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one?
The InChIKey is MVYXUWDEAXCYDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(13)4-10(14)7-2-3-9(12)8(11)5-7/h2-3,5,10,14H,4H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one?
(4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one has a molecular weight of 216.64 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chloro-4-fluorophenyl)-4-hydroxybutan-2-one is sourced from PubChem (CID 130684480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).