2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone

C14H15F3O3 — CID 114969179

IUPAC2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2
InChIKeyJTZNDDCDLBLPNG-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.58
Rot. Bonds4

About 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone

2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 114969179) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID114969179
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2
InChIKeyJTZNDDCDLBLPNG-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
1-(3-bromo-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 82809279
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
CID 114969173
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
(3R)-3-[[2-[(3S)-oxolan-3-yl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 125153738
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone (CID 114969179) is 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone is O=C(CC1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is JTZNDDCDLBLPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-11(2-4-12)13(18)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2.
What are the key properties of 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone?
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 288.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 114969179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).