2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone

C15H10F4O3 — CID 90344479

IUPAC2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone
SMILESO=C(c1cc(F)cc(F)c1)C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H10F4O3/c16-10-4-9(5-11(17)7-10)14(21)13(20)8-2-1-3-12(6-8)22-15(18)19/h1-7,13,15,20H
InChIKeyMSGWNCXEQNWQQN-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.48
Rot. Bonds5

About 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone

2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone (PubChem CID 90344479) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone
PubChem CID90344479
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone
SMILESO=C(c1cc(F)cc(F)c1)C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H10F4O3/c16-10-4-9(5-11(17)7-10)14(21)13(20)8-2-1-3-12(6-8)22-15(18)19/h1-7,13,15,20H
InChIKeyMSGWNCXEQNWQQN-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone (CID 90344479) is 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone is O=C(c1cc(F)cc(F)c1)C(O)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone?
The InChIKey is MSGWNCXEQNWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c16-10-4-9(5-11(17)7-10)14(21)13(20)8-2-1-3-12(6-8)22-15(18)19/h1-7,13,15,20H.
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone?
2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone has a molecular weight of 314.23 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-1-(3,5-difluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 90344479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).