[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol

C8H13F3O2 — CID 130584365

IUPAC[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol
SMILESCC1(CO)CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C8H13F3O2/c1-6(5-12)3-4-7(2,13-6)8(9,10)11/h12H,3-5H2,1-2H3
InChIKeyKQIMQWNFLUSOFF-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.87
Rot. Bonds1

About [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol

[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol (PubChem CID 130584365) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol
PubChem CID130584365
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol
SMILESCC1(CO)CCC(C)(C(F)(F)F)O1
InChIInChI=1S/C8H13F3O2/c1-6(5-12)3-4-7(2,13-6)8(9,10)11/h12H,3-5H2,1-2H3
InChIKeyKQIMQWNFLUSOFF-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol?
The IUPAC name of [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol (CID 130584365) is [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol?
The canonical SMILES for [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol is CC1(CO)CCC(C)(C(F)(F)F)O1.
What is the InChIKey of [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol?
The InChIKey is KQIMQWNFLUSOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-6(5-12)3-4-7(2,13-6)8(9,10)11/h12H,3-5H2,1-2H3.
What are the key properties of [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol?
[2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol has a molecular weight of 198.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-5-(trifluoromethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 130584365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).