2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol

C11H11F3O2 — CID 82717569

IUPAC2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3O2/c1-6-11(15,4-5-16-6)7-2-3-8(12)10(14)9(7)13/h2-3,6,15H,4-5H2,1H3
InChIKeyAXFBXECKRXOVKM-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.10
Rot. Bonds1

About 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol

2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol (PubChem CID 82717569) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol
PubChem CID82717569
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3O2/c1-6-11(15,4-5-16-6)7-2-3-8(12)10(14)9(7)13/h2-3,6,15H,4-5H2,1H3
InChIKeyAXFBXECKRXOVKM-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanol, alpha-(ethoxymethyl)-
CID 90768
(+-)-2-Phenyl-1,2-propanediol
CID 97867
2,4-Butanediol, 4-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 36952
4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
CID 36944
2-Methoxy-1-phenylethan-1-ol
CID 572294
1-(4-Fluorophenyl)ethane-1,2-diol
CID 11412509
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
2-Methyl-1-phenylpropane-1,2-diol
CID 346803
1,3-Butanediol, 2-ethyl-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluoro-
CID 36958
4,4,4-Trifluoro-1-(4-fluorophenyl)-2-methyl-3-(trifluoromethyl)butane-1,3-diol
CID 36962
2-Ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butane-1,3-diol
CID 36963
2-(2,4-Difluorophenyl)-1,2,3-propanetriol
CID 11217952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol (CID 82717569) is 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol is CC1OCCC1(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol?
The InChIKey is AXFBXECKRXOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-6-11(15,4-5-16-6)7-2-3-8(12)10(14)9(7)13/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol?
2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol has a molecular weight of 232.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,4-trifluorophenyl)oxolan-3-ol is sourced from PubChem (CID 82717569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).