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

C12H11F5O2 — CID 171031662

IUPAC1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(OC(F)F)cc(C(C)=O)c1C(F)(F)F
InChIInChI=1S/C12H11F5O2/c1-3-7-4-8(19-11(13)14)5-9(6(2)18)10(7)12(15,16)17/h4-5,11H,3H2,1-2H3
InChIKeyWWHWYDDTJCKRTK-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.07
Rot. Bonds4

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

1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171031662) has the molecular formula C12H11F5O2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171031662
Molecular FormulaC12H11F5O2
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(OC(F)F)cc(C(C)=O)c1C(F)(F)F
InChIInChI=1S/C12H11F5O2/c1-3-7-4-8(19-11(13)14)5-9(6(2)18)10(7)12(15,16)17/h4-5,11H,3H2,1-2H3
InChIKeyWWHWYDDTJCKRTK-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(difluoromethoxy)-3-ethyl-2-iodophenyl]ethanone
CID 171031722
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223
1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031801
1-[3-bromo-5-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 131599898
3-acetyl-5-ethoxy-2-(trifluoromethyl)benzaldehyde
CID 171023497
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
4-(difluoromethoxy)-2-ethyl-1-methylbenzene;2-ethyl-1-methyl-4-propan-2-yloxybenzene;2-ethyl-1-methyl-4-(trifluoromethoxy)benzene
CID 91000762
methyl 2-[2-cyano-5-(difluoromethoxy)-3-ethylphenyl]acetate
CID 134613957
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
1-[5-chloro-3-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171002694

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone (CID 171031662) is 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone is CCc1cc(OC(F)F)cc(C(C)=O)c1C(F)(F)F.
What is the InChIKey of 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WWHWYDDTJCKRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5O2/c1-3-7-4-8(19-11(13)14)5-9(6(2)18)10(7)12(15,16)17/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone?
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 282.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171031662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).