1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H7ClF4O2 — CID 103214452

IUPAC1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(F)ccc1Cl
InChIInChI=1S/C10H7ClF4O2/c11-8-2-1-6(12)3-7(8)9(16)4-17-5-10(13,14)15/h1-3H,4-5H2
InChIKeyCPZAXOAUEYVRMY-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214452) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214452
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(F)ccc1Cl
InChIInChI=1S/C10H7ClF4O2/c11-8-2-1-6(12)3-7(8)9(16)4-17-5-10(13,14)15/h1-3H,4-5H2
InChIKeyCPZAXOAUEYVRMY-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
1-(2-chloro-5-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214455
1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206734
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206753
1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214452) is 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CPZAXOAUEYVRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c11-8-2-1-6(12)3-7(8)9(16)4-17-5-10(13,14)15/h1-3H,4-5H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 270.61 g/mol, XLogP of 3.24, 4 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-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).