3,3,4-trifluoro-4-methyloxolane

C5H7F3O — CID 58471838

IUPAC3,3,4-trifluoro-4-methyloxolane
SMILESCC1(F)COCC1(F)F
InChIInChI=1S/C5H7F3O/c1-4(6)2-9-3-5(4,7)8/h2-3H2,1H3
InChIKeyYDESIKNPCSXMTE-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.38
Rot. Bonds

About 3,3,4-trifluoro-4-methyloxolane

3,3,4-trifluoro-4-methyloxolane (PubChem CID 58471838) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-methyloxolane.

Molecular Properties

Compound Name3,3,4-trifluoro-4-methyloxolane
PubChem CID58471838
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name3,3,4-trifluoro-4-methyloxolane
SMILESCC1(F)COCC1(F)F
InChIInChI=1S/C5H7F3O/c1-4(6)2-9-3-5(4,7)8/h2-3H2,1H3
InChIKeyYDESIKNPCSXMTE-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluorooxolane
CID 58056785
(3R)-3-fluoro-3-methyloxolane
CID 169859765
2,2-Difluoro-3,3-bis(trifluoromethyl)oxolane
CID 12730901
2,2-Difluorooxolane
CID 11083848
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
2,2,4-Trifluorooxolane
CID 20715452
2,2,3,3-Tetrafluoro-4-methyloxolane
CID 45090667
3-Trifluoromethyltetrahydrofuran
CID 54113663
1-Ethoxy-1,1,2,3,3,4-hexafluoro-2-(trifluoromethyl)butane
CID 58721075
3-Fluoro-3-methyloxolane
CID 68350371
1-Ethoxy-1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane
CID 86189324
1-Ethoxy-1,1,2,4,4,4-hexafluoro-2-(trifluoromethyl)butane
CID 87989576

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-methyloxolane?
The IUPAC name of 3,3,4-trifluoro-4-methyloxolane (CID 58471838) is 3,3,4-trifluoro-4-methyloxolane.
What is the SMILES notation for 3,3,4-trifluoro-4-methyloxolane?
The canonical SMILES for 3,3,4-trifluoro-4-methyloxolane is CC1(F)COCC1(F)F.
What is the InChIKey of 3,3,4-trifluoro-4-methyloxolane?
The InChIKey is YDESIKNPCSXMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-4(6)2-9-3-5(4,7)8/h2-3H2,1H3.
What are the key properties of 3,3,4-trifluoro-4-methyloxolane?
3,3,4-trifluoro-4-methyloxolane has a molecular weight of 140.10 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-methyloxolane is sourced from PubChem (CID 58471838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).