1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one

C15H11ClF2O2 — CID 10979379

IUPAC1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C15H11ClF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,13,19H
InChIKeyAGFJRXXSRSKGPH-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one

1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one (PubChem CID 10979379) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one
PubChem CID10979379
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C15H11ClF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,13,19H
InChIKeyAGFJRXXSRSKGPH-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Bis(3-fluorophenyl)-2-hydroxyethanone
CID 10868634
1,2-Bis(2-fluorophenyl)-2-hydroxyethanone
CID 19971657
Cyclohexanone, 2-(p-chloro-alpha-hydroxybenzyl)-
CID 3045878
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
CID 219286
4'-Chloro-5-fluoro-2-hydroxybenzophenone
CID 112841
4-Chlorobenzoin
CID 13548305
2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
CID 245919
2-[(4-Chloro-2-methylphenyl)-hydroxymethyl]naphthalene-1,4-dione
CID 71654509
2-[(2-Chlorophenyl)-hydroxymethyl]pent-1-en-3-one
CID 11957929
4-[4-(4-Chlorophenyl)-4-hydroxycyclohexyl]-1-(4-fluorophenyl)butan-1-one
CID 44354626
2-[(3-Chlorophenyl)-hydroxymethyl]naphthalene-1,4-dione
CID 71652183
1,2-Bis(4-fluorophenyl)-2-hydroxyethanone
CID 103786

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one (CID 10979379) is 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one is O=C(c1ccc(Cl)cc1)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one?
The InChIKey is AGFJRXXSRSKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,13,19H.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one?
1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one has a molecular weight of 296.70 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluoro-3-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 10979379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).