3-(1,1,1-trifluoropropan-2-yl)oxolane

C7H11F3O — CID 122546063

IUPAC3-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(7(8,9)10)6-2-3-11-4-6/h5-6H,2-4H2,1H3
InChIKeyXDKANHGMNLJXNQ-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.22
Rot. Bonds1

About 3-(1,1,1-trifluoropropan-2-yl)oxolane

3-(1,1,1-trifluoropropan-2-yl)oxolane (PubChem CID 122546063) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yl)oxolane.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yl)oxolane
PubChem CID122546063
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-(1,1,1-trifluoropropan-2-yl)oxolane
SMILESCC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(7(8,9)10)6-2-3-11-4-6/h5-6H,2-4H2,1H3
InChIKeyXDKANHGMNLJXNQ-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1,1-trifluoropropan-2-yl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Bromo-2,2-difluoro-ethyl)-4-methyl-tetrahydro-furan
CID 10014028
3-(2,2-Difluoro-2-iodoethyl)-4-(iodomethyl)oxolane
CID 11025809
2,2-Difluoro-3,5-dimethyloxolane
CID 20802266
2,3,4-Tris(trifluoromethyl)oxolane
CID 21411182
2,4-Dimethyl-2-(trifluoromethyl)oxolane
CID 57682249
4-Ethyl-2-methyl-2-(trifluoromethyl)oxolane
CID 57682252
3,3-Difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682264
3-Ethyl-3,4-difluorooxolane
CID 58864056
4-Methyl-3-propan-2-yl-1-(2,2,2-trifluoroethoxy)pentane
CID 59610498
4-Methyl-3-(trifluoromethyl)oxane
CID 59735049
4,4-Difluoro-2,3-dimethyloxolane
CID 67977154
3,4-Dimethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 89094500

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)oxolane?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yl)oxolane (CID 122546063) is 3-(1,1,1-trifluoropropan-2-yl)oxolane.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yl)oxolane?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yl)oxolane is CC(C1CCOC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yl)oxolane?
The InChIKey is XDKANHGMNLJXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5(7(8,9)10)6-2-3-11-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yl)oxolane?
3-(1,1,1-trifluoropropan-2-yl)oxolane has a molecular weight of 168.16 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yl)oxolane is sourced from PubChem (CID 122546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).