[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C12H11F3O3 — CID 116996913

IUPAC[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1(CO)COC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(17)11(5-16)6-18-7-11/h1-4,16H,5-7H2
InChIKeyFTDLZTDDQMEEGW-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.90
Rot. Bonds3

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

[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 116996913) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID116996913
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1(CO)COC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(17)11(5-16)6-18-7-11/h1-4,16H,5-7H2
InChIKeyFTDLZTDDQMEEGW-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922539
(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922574
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
CID 116576679
(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
4-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxylic acid
CID 62906139
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
CID 161391832
CID 161391832
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 116996913) is [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1(CO)COC1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FTDLZTDDQMEEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(17)11(5-16)6-18-7-11/h1-4,16H,5-7H2.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 260.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116996913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).