1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one

C9H6ClF3O2 — CID 102134587

IUPAC1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESO=C(c1ccccc1Cl)C(O)C(F)(F)F
InChIInChI=1S/C9H6ClF3O2/c10-6-4-2-1-3-5(6)7(14)8(15)9(11,12)13/h1-4,8,15H
InChIKeyPXVJAVKQFNXIOC-UHFFFAOYSA-N
MW238.59 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one

1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one (PubChem CID 102134587) has the molecular formula C9H6ClF3O2 and a molecular weight of 238.59 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
PubChem CID102134587
Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
Exact Mass238.00
IUPAC Name1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESO=C(c1ccccc1Cl)C(O)C(F)(F)F
InChIInChI=1S/C9H6ClF3O2/c10-6-4-2-1-3-5(6)7(14)8(15)9(11,12)13/h1-4,8,15H
InChIKeyPXVJAVKQFNXIOC-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.59
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one
CID 12856740
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(2-chlorophenyl)-2-cyclopropyl-2-hydroxyethanone
CID 103455715
methyl 3-(2-chlorophenyl)-2-fluoro-3-oxopropanoate
CID 105488730
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
CID 114963310
2-amino-1-(2-chlorophenyl)-2-methylpropan-1-one
CID 82282086
1,2-dichlorobenzene;2,2,2-trifluoroethanol
CID 160821263
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
3-(2-chlorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334244
1-(2,3-dichlorophenyl)-2-hydroxy-2-phenylethanone
CID 21163872

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one (CID 102134587) is 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one is O=C(c1ccccc1Cl)C(O)C(F)(F)F.
What is the InChIKey of 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The InChIKey is PXVJAVKQFNXIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O2/c10-6-4-2-1-3-5(6)7(14)8(15)9(11,12)13/h1-4,8,15H.
What are the key properties of 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one has a molecular weight of 238.59 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropan-1-one is sourced from PubChem (CID 102134587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).