1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C13H13F3O3 — CID 65330397

IUPAC1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)19-11-3-1-9(2-4-11)7-12(17)10-5-6-18-8-10/h1-4,10H,5-8H2
InChIKeyKZSRXFQXCQNTDK-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.73
Rot. Bonds4

About 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 65330397) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID65330397
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)19-11-3-1-9(2-4-11)7-12(17)10-5-6-18-8-10/h1-4,10H,5-8H2
InChIKeyKZSRXFQXCQNTDK-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.73
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
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 171942839
oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733
1-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 115336214
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 171942829
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94186944
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
1-[4-(methylamino)oxolan-3-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 116561283
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 103543650
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 65330397) is 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(OC(F)(F)F)cc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is KZSRXFQXCQNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)19-11-3-1-9(2-4-11)7-12(17)10-5-6-18-8-10/h1-4,10H,5-8H2.
What are the key properties of 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 274.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 65330397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).