4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol

C13H15F3O2 — CID 123795708

IUPAC4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol
SMILESOC1OCC(c2ccccc2)C1CCC(F)(F)F
InChIInChI=1S/C13H15F3O2/c14-13(15,16)7-6-10-11(8-18-12(10)17)9-4-2-1-3-5-9/h1-5,10-12,17H,6-8H2
InChIKeyLUMAXMOPWDZOBJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.08
Rot. Bonds3

About 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol

4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol (PubChem CID 123795708) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol.

Molecular Properties

Compound Name4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol
PubChem CID123795708
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol
SMILESOC1OCC(c2ccccc2)C1CCC(F)(F)F
InChIInChI=1S/C13H15F3O2/c14-13(15,16)7-6-10-11(8-18-12(10)17)9-4-2-1-3-5-9/h1-5,10-12,17H,6-8H2
InChIKeyLUMAXMOPWDZOBJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
3,3,3-Trifluoro-2-phenylpropan-1-ol
CID 14205782
(1S)-1-[(2R,3S,4R)-4-methyl-2-(2-phenylethoxy)oxolan-3-yl]ethanol
CID 168269388
(1S)-1-[(3R,4R,5R)-4-methyl-5-(2-phenylethoxy)oxolan-3-yl]ethanol
CID 168270843
[(2R,3R,4S,5S)-2,4-dimethyl-5-(2-phenylethoxy)oxolan-3-yl]methanol
CID 168290147
[(2R,3R,4S,5R)-2,4-dimethyl-5-(2-phenylethoxy)oxolan-3-yl]methanol
CID 168293908
alpha-Propoxyphenethyl alcohol
CID 3018206
3-[4-(Trifluoromethyl)phenyl]oxolane
CID 89525015
2-(2-Fluorophenyl)ethane-1,1-diol
CID 91576813
2,2-Bis(2,2,2-trifluoroethoxy)ethylbenzene
CID 53777002
2-(2,2-Difluoro-3-phenylcyclopropyl)-1,3-dioxolane
CID 11770148
5,5-Difluoro-2-phenylpent-4-en-1-ol
CID 13551230

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol?
The IUPAC name of 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol (CID 123795708) is 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol.
What is the SMILES notation for 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol?
The canonical SMILES for 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol is OC1OCC(c2ccccc2)C1CCC(F)(F)F.
What is the InChIKey of 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol?
The InChIKey is LUMAXMOPWDZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)7-6-10-11(8-18-12(10)17)9-4-2-1-3-5-9/h1-5,10-12,17H,6-8H2.
What are the key properties of 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol?
4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol has a molecular weight of 260.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3,3,3-trifluoropropyl)oxolan-2-ol is sourced from PubChem (CID 123795708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).