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

C14H15F3O3 — CID 65329809

IUPAC1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11H,5-9H2
InChIKeyPHXGPYFQFPVXBD-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.12
Rot. Bonds4

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

1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 65329809) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID65329809
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11H,5-9H2
InChIKeyPHXGPYFQFPVXBD-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 65329809) is 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is PHXGPYFQFPVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c15-14(16,17)20-12-3-1-10(2-4-12)9-13(18)11-5-7-19-8-6-11/h1-4,11H,5-9H2.
What are the key properties of 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 288.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 65329809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).