3-(trifluoromethyl)oxolane

C5H7F3O — CID 54113663

IUPAC3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C1CCOC1
InChIInChI=1S/C5H7F3O/c6-5(7,8)4-1-2-9-3-4/h4H,1-3H2
InChIKeyHBYDRXVFGDTGBN-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.59
Rot. Bonds

About 3-(trifluoromethyl)oxolane

3-(trifluoromethyl)oxolane (PubChem CID 54113663) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3-(trifluoromethyl)oxolane
PubChem CID54113663
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C1CCOC1
InChIInChI=1S/C5H7F3O/c6-5(7,8)4-1-2-9-3-4/h4H,1-3H2
InChIKeyHBYDRXVFGDTGBN-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethyl)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

3,3-Difluorooxolane
CID 58056785
2,2-Difluoro-3,3-bis(trifluoromethyl)oxolane
CID 12730901
2,2-Difluorooxolane
CID 11083848
2,2,4-Trifluorooxolane
CID 20715452
2-Fluoro-3-(fluoromethyl)oxolane
CID 21357108
2,2,3,3-Tetrafluoro-4-methyloxolane
CID 45090667
3-(Fluoromethyl)oxolane
CID 53866038
3,3,4-Trifluoro-4-methyloxolane
CID 58471838
4-(Difluoromethyl)-2,2,3,3,4,5-hexafluorooxolane
CID 88849043
4-(Difluoromethyl)-2,2,3,4,5-pentafluorooxolane
CID 89201243
1,1,1-Trifluoroethane;3,3,4-trifluoro-4-methyloxolane
CID 123332572
3,3-Difluoro-4-methyloxolane
CID 129270059

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxolane?
The IUPAC name of 3-(trifluoromethyl)oxolane (CID 54113663) is 3-(trifluoromethyl)oxolane.
What is the SMILES notation for 3-(trifluoromethyl)oxolane?
The canonical SMILES for 3-(trifluoromethyl)oxolane is FC(F)(F)C1CCOC1.
What is the InChIKey of 3-(trifluoromethyl)oxolane?
The InChIKey is HBYDRXVFGDTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c6-5(7,8)4-1-2-9-3-4/h4H,1-3H2.
What are the key properties of 3-(trifluoromethyl)oxolane?
3-(trifluoromethyl)oxolane has a molecular weight of 140.10 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxolane is sourced from PubChem (CID 54113663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).