2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol

C7H8F6O2 — CID 146493162

IUPAC2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol
SMILESCC1(O)CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H8F6O2/c1-4(14)2-3-5(15-4,6(8,9)10)7(11,12)13/h14H,2-3H2,1H3
InChIKeyWLELQNOFZPWJMS-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.37
Rot. Bonds

About 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol

2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol (PubChem CID 146493162) has the molecular formula C7H8F6O2 and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol
PubChem CID146493162
Molecular FormulaC7H8F6O2
Molecular Weight238.13 g/mol
Exact Mass238.04
IUPAC Name2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol
SMILESCC1(O)CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C7H8F6O2/c1-4(14)2-3-5(15-4,6(8,9)10)7(11,12)13/h14H,2-3H2,1H3
InChIKeyWLELQNOFZPWJMS-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol?
The IUPAC name of 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol (CID 146493162) is 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol is CC1(O)CCC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol?
The InChIKey is WLELQNOFZPWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O2/c1-4(14)2-3-5(15-4,6(8,9)10)7(11,12)13/h14H,2-3H2,1H3.
What are the key properties of 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol?
2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol has a molecular weight of 238.13 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-bis(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 146493162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).