1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone

C14H8ClF3O — CID 62945008

IUPAC1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF3O/c15-12-7-10(17)1-3-11(12)14(19)6-8-5-9(16)2-4-13(8)18/h1-5,7H,6H2
InChIKeyRTGODLZDWZSPLF-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.18
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone

1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 62945008) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
PubChem CID62945008
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1F)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF3O/c15-12-7-10(17)1-3-11(12)14(19)6-8-5-9(16)2-4-13(8)18/h1-5,7H,6H2
InChIKeyRTGODLZDWZSPLF-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
1-(2-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-one
CID 146009446
2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63738108

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone (CID 62945008) is 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone is O=C(Cc1cc(F)ccc1F)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is RTGODLZDWZSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-12-7-10(17)1-3-11(12)14(19)6-8-5-9(16)2-4-13(8)18/h1-5,7H,6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone?
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone has a molecular weight of 284.66 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 62945008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).