1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C11H9F5O2 — CID 103206753

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1cc(F)c(C(=O)COCC(F)(F)F)cc1F
InChIInChI=1S/C11H9F5O2/c1-6-2-9(13)7(3-8(6)12)10(17)4-18-5-11(14,15)16/h2-3H,4-5H2,1H3
InChIKeyMXTNYLZHXDEDFZ-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.03
Rot. Bonds4

About 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206753) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206753
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1cc(F)c(C(=O)COCC(F)(F)F)cc1F
InChIInChI=1S/C11H9F5O2/c1-6-2-9(13)7(3-8(6)12)10(17)4-18-5-11(14,15)16/h2-3H,4-5H2,1H3
InChIKeyMXTNYLZHXDEDFZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206752
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 79732569
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206875
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206671
1-(4-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096171
2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 81045571
1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206753) is 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is Cc1cc(F)c(C(=O)COCC(F)(F)F)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is MXTNYLZHXDEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2/c1-6-2-9(13)7(3-8(6)12)10(17)4-18-5-11(14,15)16/h2-3H,4-5H2,1H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 268.18 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).