1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone

C16H14ClFO2 — CID 105394415

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(18)8-9-14(13)17/h3-10,16H,2H2,1H3
InChIKeyWFQADDKKQDBVJN-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.44
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone

1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone (PubChem CID 105394415) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
PubChem CID105394415
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H14ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(18)8-9-14(13)17/h3-10,16H,2H2,1H3
InChIKeyWFQADDKKQDBVJN-UHFFFAOYSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-one
CID 114029059
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
CID 116751757
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
3-amino-1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-1-one
CID 105396542
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
CID 106867161

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone (CID 105394415) is 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone is CCOC(C(=O)c1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone?
The InChIKey is WFQADDKKQDBVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(18)8-9-14(13)17/h3-10,16H,2H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone?
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone has a molecular weight of 292.74 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone is sourced from PubChem (CID 105394415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).