5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane

C9H15F3O — CID 140573405

IUPAC5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane
SMILESCC1CC(C(C)C)C(C(F)(F)F)O1
InChIInChI=1S/C9H15F3O/c1-5(2)7-4-6(3)13-8(7)9(10,11)12/h5-8H,4H2,1-3H3
InChIKeyLZYQOLJUHFULCD-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.00
Rot. Bonds1

About 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane

5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane (PubChem CID 140573405) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane
PubChem CID140573405
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane
SMILESCC1CC(C(C)C)C(C(F)(F)F)O1
InChIInChI=1S/C9H15F3O/c1-5(2)7-4-6(3)13-8(7)9(10,11)12/h5-8H,4H2,1-3H3
InChIKeyLZYQOLJUHFULCD-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane?
The IUPAC name of 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane (CID 140573405) is 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane?
The canonical SMILES for 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane is CC1CC(C(C)C)C(C(F)(F)F)O1.
What is the InChIKey of 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane?
The InChIKey is LZYQOLJUHFULCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-5(2)7-4-6(3)13-8(7)9(10,11)12/h5-8H,4H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane?
5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane has a molecular weight of 196.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 140573405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).