2-(3,3,3-trifluoropropyl)oxane

C8H13F3O — CID 130286523

IUPAC2-(3,3,3-trifluoropropyl)oxane
SMILESFC(F)(F)CCC1CCCCO1
InChIInChI=1S/C8H13F3O/c9-8(10,11)5-4-7-3-1-2-6-12-7/h7H,1-6H2
InChIKeyBXSKIWXJYDZBGX-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.90
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)oxane

2-(3,3,3-trifluoropropyl)oxane (PubChem CID 130286523) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)oxane.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)oxane
PubChem CID130286523
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2-(3,3,3-trifluoropropyl)oxane
SMILESFC(F)(F)CCC1CCCCO1
InChIInChI=1S/C8H13F3O/c9-8(10,11)5-4-7-3-1-2-6-12-7/h7H,1-6H2
InChIKeyBXSKIWXJYDZBGX-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,3,3-trifluoropropyl)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-(3,3,3-trifluoropropyl)oxane?
The IUPAC name of 2-(3,3,3-trifluoropropyl)oxane (CID 130286523) is 2-(3,3,3-trifluoropropyl)oxane.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)oxane?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)oxane is FC(F)(F)CCC1CCCCO1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)oxane?
The InChIKey is BXSKIWXJYDZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)5-4-7-3-1-2-6-12-7/h7H,1-6H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)oxane?
2-(3,3,3-trifluoropropyl)oxane has a molecular weight of 182.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)oxane is sourced from PubChem (CID 130286523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).