1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone

C11H9F5O2 — CID 171032223

IUPAC1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C11H9F5O2/c1-5-8(6(2)17)3-7(18-10(12)13)4-9(5)11(14,15)16/h3-4,10H,1-2H3
InChIKeyDSRVDQHWTLJTDS-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.82
Rot. Bonds3

About 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone

1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 171032223) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
PubChem CID171032223
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1C
InChIInChI=1S/C11H9F5O2/c1-5-8(6(2)17)3-7(18-10(12)13)4-9(5)11(14,15)16/h3-4,10H,1-2H3
InChIKeyDSRVDQHWTLJTDS-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
CID 134639057
3-acetyl-5-(difluoromethoxy)-2-iodobenzaldehyde
CID 171032061
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 119022399

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone (CID 171032223) is 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(OC(F)F)cc(C(F)(F)F)c1C.
What is the InChIKey of 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DSRVDQHWTLJTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2/c1-5-8(6(2)17)3-7(18-10(12)13)4-9(5)11(14,15)16/h3-4,10H,1-2H3.
What are the key properties of 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone?
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 268.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171032223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).