(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone

C16H13F3O2 — CID 63411511

IUPAC(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCCc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O2/c1-2-11-6-8-12(9-7-11)15(20)13-4-3-5-14(10-13)21-16(17,18)19/h3-10H,2H2,1H3
InChIKeyHPAHUZITSOOSFG-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.38
Rot. Bonds4

About (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone

(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 63411511) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID63411511
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCCc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3O2/c1-2-11-6-8-12(9-7-11)15(20)13-4-3-5-14(10-13)21-16(17,18)19/h3-10H,2H2,1H3
InChIKeyHPAHUZITSOOSFG-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253
2-chloro-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 146008195
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
2-(4-chlorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 63411353
3-ethyl-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 103458432
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 63411511) is (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is CCc1ccc(C(=O)c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HPAHUZITSOOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-2-11-6-8-12(9-7-11)15(20)13-4-3-5-14(10-13)21-16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 294.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 63411511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).