2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H11ClF2O2 — CID 103805212

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C15H11ClF2O2/c1-20-15-5-3-10(8-13(15)18)14(19)7-9-2-4-12(17)11(16)6-9/h2-6,8H,7H2,1H3
InChIKeySSZWOGRUKVJYGD-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 103805212) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID103805212
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C15H11ClF2O2/c1-20-15-5-3-10(8-13(15)18)14(19)7-9-2-4-12(17)11(16)6-9/h2-6,8H,7H2,1H3
InChIKeySSZWOGRUKVJYGD-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 53417192
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 103805212) is 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is SSZWOGRUKVJYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c1-20-15-5-3-10(8-13(15)18)14(19)7-9-2-4-12(17)11(16)6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 296.70 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 103805212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).