(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone

C15H17F3O3 — CID 116749027

IUPAC(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCOC1(C(=O)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H17F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10H,2,6-9H2,1H3
InChIKeyGSNXXDBYYLCQRI-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.47
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 116749027) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID116749027
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCOC1(C(=O)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H17F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10H,2,6-9H2,1H3
InChIKeyGSNXXDBYYLCQRI-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
(1-methoxycycloheptyl)-[3-(trifluoromethyl)phenyl]methanone
CID 116750643
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
CID 116748823
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
ethyl 3-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]propanoate
CID 66685195
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
N-(2-ethoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51092273
2-ethoxyethyl 3-(trifluoromethyl)benzoate
CID 78788467

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 116749027) is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone is CCOC1(C(=O)c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GSNXXDBYYLCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10H,2,6-9H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 302.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116749027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).