1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone

C11H10ClF3O2 — CID 171007428

IUPAC1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H10ClF3O2/c1-3-17-8-5-4-7(6(2)16)9(10(8)12)11(13,14)15/h4-5H,3H2,1-2H3
InChIKeyBFQJYDMGWDKDOL-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.96
Rot. Bonds3

About 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone

1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171007428) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171007428
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone
SMILESCCOc1ccc(C(C)=O)c(C(F)(F)F)c1Cl
InChIInChI=1S/C11H10ClF3O2/c1-3-17-8-5-4-7(6(2)16)9(10(8)12)11(13,14)15/h4-5H,3H2,1-2H3
InChIKeyBFQJYDMGWDKDOL-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-[5-chloro-3-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171002694
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965
1-[3-ethoxy-4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020983
1-[3-ethyl-4-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171033843
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281
1-[4-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 118827634
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
1-[3-ethoxy-5-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171017057

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone (CID 171007428) is 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone is CCOc1ccc(C(C)=O)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BFQJYDMGWDKDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-3-17-8-5-4-7(6(2)16)9(10(8)12)11(13,14)15/h4-5H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone?
1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 266.65 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171007428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).