1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone

C12H11F3O3 — CID 65350786

IUPAC1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1COCCO1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)9-4-2-1-3-8(9)11(16)10-7-17-5-6-18-10/h1-4,10H,5-7H2
InChIKeySKHZXMPWKZLNNK-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.30
Rot. Bonds2

About 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone

1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 65350786) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID65350786
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1COCCO1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)9-4-2-1-3-8(9)11(16)10-7-17-5-6-18-10/h1-4,10H,5-7H2
InChIKeySKHZXMPWKZLNNK-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 79078104
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
CID 62799546
[2-(oxirane-2-carbonyl)phenyl]-(oxiran-2-yl)methanone
CID 141300855
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292
1,4-dioxan-2-yl-(4-methylfuran-3-yl)methanone
CID 130964889
(3-phenyloxiran-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138963219
(2-hydroxyphenyl)-(oxiran-2-yl)methanone
CID 10820908
2-(1,4-dioxane-2-carbonylamino)benzoic acid
CID 43353060
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone (CID 65350786) is 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1COCCO1.
What is the InChIKey of 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is SKHZXMPWKZLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)9-4-2-1-3-8(9)11(16)10-7-17-5-6-18-10/h1-4,10H,5-7H2.
What are the key properties of 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone?
1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 260.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 65350786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).