2-methyl-3-(trifluoromethyl)oxolane

C6H9F3O — CID 170752700

IUPAC2-methyl-3-(trifluoromethyl)oxolane
SMILESCC1OCCC1C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-5(2-3-10-4)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyNZAWZZOWGGIKMJ-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.97
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)oxolane

2-methyl-3-(trifluoromethyl)oxolane (PubChem CID 170752700) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)oxolane
PubChem CID170752700
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-methyl-3-(trifluoromethyl)oxolane
SMILESCC1OCCC1C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-4-5(2-3-10-4)6(7,8)9/h4-5H,2-3H2,1H3
InChIKeyNZAWZZOWGGIKMJ-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)oxolane?
The IUPAC name of 2-methyl-3-(trifluoromethyl)oxolane (CID 170752700) is 2-methyl-3-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)oxolane?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)oxolane is CC1OCCC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)oxolane?
The InChIKey is NZAWZZOWGGIKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4-5(2-3-10-4)6(7,8)9/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)oxolane?
2-methyl-3-(trifluoromethyl)oxolane has a molecular weight of 154.13 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 170752700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).