1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone

C16H14F2O2 — CID 116751709

IUPAC1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,16H,2H2,1H3
InChIKeyYMUHSYLPOYBPTP-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone

1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone (PubChem CID 116751709) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
PubChem CID116751709
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,16H,2H2,1H3
InChIKeyYMUHSYLPOYBPTP-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
1-(2,5-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708756
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
CID 116751757
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 8578754
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757204
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone (CID 116751709) is 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone is CCOC(C(=O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone?
The InChIKey is YMUHSYLPOYBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,16H,2H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone?
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone has a molecular weight of 276.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone is sourced from PubChem (CID 116751709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).