1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone

C11H11F3O3 — CID 164895664

IUPAC1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
SMILESCCOc1cc(OC(F)(F)F)cc(C(C)=O)c1
InChIInChI=1S/C11H11F3O3/c1-3-16-9-4-8(7(2)15)5-10(6-9)17-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeySHQQUWKKAWXNHV-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.19
Rot. Bonds4

About 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone

1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone (PubChem CID 164895664) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
PubChem CID164895664
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone
SMILESCCOc1cc(OC(F)(F)F)cc(C(C)=O)c1
InChIInChI=1S/C11H11F3O3/c1-3-16-9-4-8(7(2)15)5-10(6-9)17-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeySHQQUWKKAWXNHV-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-1-[3-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615894
1-[3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 170996432
ethyl 3-methoxy-5-(trifluoromethoxy)benzoate
CID 164894988
3-(methoxymethoxy)-5-(trifluoromethoxy)benzoic acid
CID 164895616
1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
3-ethoxy-5-pentan-3-yloxybenzoic acid
CID 21062026
2-(trifluoromethoxy)ethyl 3-amino-5-ethoxybenzoate
CID 81091591
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
[3-ethoxycarbonyl-5-(trifluoromethoxy)phenyl]boronic acid
CID 164894989
ethyl 3-formyl-5-(trifluoromethoxy)benzoate
CID 164892904
1-[3-ethoxy-5-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171017057
1-[3,5-diethoxy-4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]ethanone
CID 155595614

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone (CID 164895664) is 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone is CCOc1cc(OC(F)(F)F)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is SHQQUWKKAWXNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-3-16-9-4-8(7(2)15)5-10(6-9)17-11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone?
1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-5-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 164895664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).