3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C13H15F3O3 — CID 22507303

IUPAC3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCC1OCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3/c14-13(15,16)10-4-2-1-3-9(10)11(17)5-6-12-18-7-8-19-12/h1-4,11-12,17H,5-8H2
InChIKeyDJZVWKQAZPFART-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.89
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol

3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 22507303) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID22507303
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESOC(CCC1OCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3O3/c14-13(15,16)10-4-2-1-3-9(10)11(17)5-6-12-18-7-8-19-12/h1-4,11-12,17H,5-8H2
InChIKeyDJZVWKQAZPFART-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 22507303) is 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol is OC(CCC1OCCO1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is DJZVWKQAZPFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c14-13(15,16)10-4-2-1-3-9(10)11(17)5-6-12-18-7-8-19-12/h1-4,11-12,17H,5-8H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 276.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 22507303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).