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

C15H11ClF2O2 — CID 81242733

IUPAC2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESCOc1ccc(C(=O)C(Cl)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H11ClF2O2/c1-20-13-7-4-10(8-12(13)18)15(19)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyKCPWODWBDFBTNR-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.14
Rot. Bonds4

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

2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 81242733) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
PubChem CID81242733
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
SMILESCOc1ccc(C(=O)C(Cl)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H11ClF2O2/c1-20-13-7-4-10(8-12(13)18)15(19)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyKCPWODWBDFBTNR-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
(2R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)-2-phenylethanone
CID 914585
1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
3-fluoro-4-methoxybenzoate
CID 4251674
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone (CID 81242733) is 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone is COc1ccc(C(=O)C(Cl)c2ccc(F)cc2)cc1F.
What is the InChIKey of 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is KCPWODWBDFBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c1-20-13-7-4-10(8-12(13)18)15(19)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3.
What are the key properties of 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone?
2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 296.70 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 81242733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).