2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone

C14H9F3O2 — CID 103596177

IUPAC2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone
SMILESO=C(c1ccc(F)cc1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C14H9F3O2/c15-11-8-6-10(7-9-11)13(18)14(16,17)19-12-4-2-1-3-5-12/h1-9H
InChIKeyPSINIXGMPYVLEF-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.68
Rot. Bonds4

About 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone

2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone (PubChem CID 103596177) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone
PubChem CID103596177
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone
SMILESO=C(c1ccc(F)cc1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C14H9F3O2/c15-11-8-6-10(7-9-11)13(18)14(16,17)19-12-4-2-1-3-5-12/h1-9H
InChIKeyPSINIXGMPYVLEF-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315
2,2-difluoro-2-phenoxyacetamide
CID 66930473
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate
CID 162451027
(4-fluorophenyl)-phenylmethanone
CID 161464622
N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
CID 20716397
(4-fluorophenyl) phenyl carbonate
CID 555788
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone?
The IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone (CID 103596177) is 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone?
The canonical SMILES for 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone is O=C(c1ccc(F)cc1)C(F)(F)Oc1ccccc1.
What is the InChIKey of 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone?
The InChIKey is PSINIXGMPYVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-11-8-6-10(7-9-11)13(18)14(16,17)19-12-4-2-1-3-5-12/h1-9H.
What are the key properties of 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone?
2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone has a molecular weight of 266.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone is sourced from PubChem (CID 103596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).