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

C12H11F5O — CID 171032505

IUPAC1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(C(C)=O)c(C(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F5O/c1-3-7-4-8(6(2)18)10(11(13)14)9(5-7)12(15,16)17/h4-5,11H,3H2,1-2H3
InChIKeyZKZRVHWPTGRZLS-UHFFFAOYSA-N
MW266.21 g/mol
LogP4.41
Rot. Bonds3

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

1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 171032505) has the molecular formula C12H11F5O and a molecular weight of 266.21 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone
PubChem CID171032505
Molecular FormulaC12H11F5O
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(C(C)=O)c(C(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11F5O/c1-3-7-4-8(6(2)18)10(11(13)14)9(5-7)12(15,16)17/h4-5,11H,3H2,1-2H3
InChIKeyZKZRVHWPTGRZLS-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032657
1-[5-amino-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171025688
3-acetyl-4-(difluoromethyl)-5-(trifluoromethyl)benzonitrile
CID 171030902
1-[5-ethyl-2-nitro-3-(trifluoromethyl)phenyl]ethanone
CID 171033859
1-[3-chloro-2-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171009956
1-[2-bromo-3-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171000631
1-[2-(difluoromethyl)-4-ethoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032408
1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171032554
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
CID 135742866
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
1-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 134615984

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone (CID 171032505) is 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone is CCc1cc(C(C)=O)c(C(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZKZRVHWPTGRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5O/c1-3-7-4-8(6(2)18)10(11(13)14)9(5-7)12(15,16)17/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone?
1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 266.21 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-ethyl-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171032505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).