2-(1,1,1-trifluoropropan-2-yloxy)oxane

C8H13F3O2 — CID 18927615

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)oxane
SMILESCC(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h6-7H,2-5H2,1H3
InChIKeyNDQHFDMRKFOWSR-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.48
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-yloxy)oxane

2-(1,1,1-trifluoropropan-2-yloxy)oxane (PubChem CID 18927615) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)oxane.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)oxane
PubChem CID18927615
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)oxane
SMILESCC(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h6-7H,2-5H2,1H3
InChIKeyNDQHFDMRKFOWSR-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,1-trifluoropropan-2-yloxy)oxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)oxane?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)oxane (CID 18927615) is 2-(1,1,1-trifluoropropan-2-yloxy)oxane.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)oxane?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)oxane is CC(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)oxane?
The InChIKey is NDQHFDMRKFOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)oxane?
2-(1,1,1-trifluoropropan-2-yloxy)oxane has a molecular weight of 198.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)oxane is sourced from PubChem (CID 18927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).