(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one

C11H10ClF3O2 — CID 135042892

IUPAC(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
SMILESCC(=O)C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-7(16)6-10(17,11(13,14)15)8-2-4-9(12)5-3-8/h2-5,17H,6H2,1H3/t10-/m1/s1
InChIKeyZSJVIAJPFOBFLL-SNVBAGLBSA-N
MW266.65 g/mol
LogP3.07
Rot. Bonds3

About (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one

(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one (PubChem CID 135042892) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
PubChem CID135042892
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
SMILESCC(=O)C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-7(16)6-10(17,11(13,14)15)8-2-4-9(12)5-3-8/h2-5,17H,6H2,1H3/t10-/m1/s1
InChIKeyZSJVIAJPFOBFLL-SNVBAGLBSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanone, 2-(p-chloro-alpha-hydroxybenzyl)-
CID 3045878
p-Chloro-alpha,alpha-dimethylbenzyl alcohol
CID 74808
5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one
CID 2853535
Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
CID 89439
2-(4-Chlorophenyl)butan-2-ol
CID 15590446
2-(2-Chlorophenyl)-2-hydroxycyclohexan-1-one
CID 129318411
2-[(2-Chlorophenyl)-hydroxymethyl]pent-1-en-3-one
CID 11957929
7,7,8,8-Tetrafluoro-6-hydroxy-2-methyl-6-phenyloct-2-en-4-one
CID 557988
3-Buten-2-one, 3-[(4-chlorophenyl)hydroxymethyl]-
CID 11790495
4-Chloro-(2-hydroxyhexafluoroisopropyl)benzene
CID 519744
2-(4-Chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-phenylhexan-3-one
CID 2832869

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one?
The IUPAC name of (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one (CID 135042892) is (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one is CC(=O)C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one?
The InChIKey is ZSJVIAJPFOBFLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-7(16)6-10(17,11(13,14)15)8-2-4-9(12)5-3-8/h2-5,17H,6H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one?
(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one has a molecular weight of 266.65 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one is sourced from PubChem (CID 135042892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).