2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C12H13F3O3 — CID 103547447

IUPAC2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(16)7-11-17-5-6-18-11/h1-4,10-11,16H,5-7H2
InChIKeyHYENCXIAUALDJV-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.50
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 103547447) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID103547447
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(16)7-11-17-5-6-18-11/h1-4,10-11,16H,5-7H2
InChIKeyHYENCXIAUALDJV-UHFFFAOYSA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylmethyl)-1,3-dioxolane-4-methanol
CID 21895
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
1-(4-(Trifluoromethyl)phenyl)but-3-en-1-ol
CID 10536669
(1S)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 11298879
1-[4-(Trifluoromethyl)phenyl]prop-2-en-1-ol
CID 53235736
2,2-Diethoxy-1-phenylethanol
CID 344143
1,3-Dioxolane-4-methanol, 2-methyl-2-(4-methylphenyl)-
CID 16636
1,3-Dioxolane-4-methanol, 2-p-cumenyl-2-methyl-
CID 43112
1,3-Dioxolane-4-methanol, 2-(4-methylphenyl)-
CID 107276
alpha-(Perfluorooxolan-2-yl-difluoromethyl)benzyl alcohol
CID 2829294
(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol
CID 134857658
1-[4-(Trifluoromethyl)phenyl]ethane-1,2-diol
CID 11481148

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 103547447) is 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CC1OCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HYENCXIAUALDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c13-12(14,15)9-3-1-8(2-4-9)10(16)7-11-17-5-6-18-11/h1-4,10-11,16H,5-7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 262.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 103547447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).