3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine

C8H13F4NO2 — CID 61065970

IUPAC3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c9-7(10)8(11,12)4-15-6-3-14-2-1-5(6)13/h5-7H,1-4,13H2
InChIKeyZZCQDRLTRKKDTO-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.02
Rot. Bonds4

About 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine

3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine (PubChem CID 61065970) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine
PubChem CID61065970
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c9-7(10)8(11,12)4-15-6-3-14-2-1-5(6)13/h5-7H,1-4,13H2
InChIKeyZZCQDRLTRKKDTO-UHFFFAOYSA-N
XLogP1.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine 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 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine (CID 61065970) is 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine is NC1CCOCC1OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine?
The InChIKey is ZZCQDRLTRKKDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c9-7(10)8(11,12)4-15-6-3-14-2-1-5(6)13/h5-7H,1-4,13H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine?
3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine has a molecular weight of 231.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)oxan-4-amine is sourced from PubChem (CID 61065970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).