2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone

C14H10F2O2 — CID 22004300

IUPAC2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2O2/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyDATRAWMDRCCWLD-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.88
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone

2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone (PubChem CID 22004300) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
PubChem CID22004300
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2O2/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyDATRAWMDRCCWLD-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone
CID 18701482
2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
(1S)-1-(3,4-difluorophenyl)ethanamine;2-hydroxy-2-phenylacetic acid
CID 174417631
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
2-hydroxy-2-[3-(hydroxymethyl)phenyl]-1-phenylethanone
CID 70540127
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
3-[amino-(3,4-difluorophenyl)methyl]benzoic acid
CID 116938711

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone (CID 22004300) is 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone?
The InChIKey is DATRAWMDRCCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H.
What are the key properties of 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone?
2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone has a molecular weight of 248.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 22004300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).