2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol

C7H11F3O2 — CID 130977742

IUPAC2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
SMILESCC1CC(O)(C(F)(F)F)C(C)O1
InChIInChI=1S/C7H11F3O2/c1-4-3-6(11,5(2)12-4)7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyBVGIGDXNXVPJKS-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.48
Rot. Bonds

About 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol

2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol (PubChem CID 130977742) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
PubChem CID130977742
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
SMILESCC1CC(O)(C(F)(F)F)C(C)O1
InChIInChI=1S/C7H11F3O2/c1-4-3-6(11,5(2)12-4)7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyBVGIGDXNXVPJKS-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol?
The IUPAC name of 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol (CID 130977742) is 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol.
What is the SMILES notation for 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol?
The canonical SMILES for 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol is CC1CC(O)(C(F)(F)F)C(C)O1.
What is the InChIKey of 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol?
The InChIKey is BVGIGDXNXVPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-3-6(11,5(2)12-4)7(8,9)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol?
2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol has a molecular weight of 184.16 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol is sourced from PubChem (CID 130977742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).