4-(2,2-difluoroethyl)oxan-4-amine

C7H13F2NO — CID 115013018

IUPAC4-(2,2-difluoroethyl)oxan-4-amine
SMILESNC1(CC(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)5-7(10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyUCVOWRKSODWMEQ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds2

About 4-(2,2-difluoroethyl)oxan-4-amine

4-(2,2-difluoroethyl)oxan-4-amine (PubChem CID 115013018) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)oxan-4-amine
PubChem CID115013018
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-(2,2-difluoroethyl)oxan-4-amine
SMILESNC1(CC(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO/c8-6(9)5-7(10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyUCVOWRKSODWMEQ-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-difluoroethyl)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 4-(2,2-difluoroethyl)oxan-4-amine?
The IUPAC name of 4-(2,2-difluoroethyl)oxan-4-amine (CID 115013018) is 4-(2,2-difluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(2,2-difluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(2,2-difluoroethyl)oxan-4-amine is NC1(CC(F)F)CCOCC1.
What is the InChIKey of 4-(2,2-difluoroethyl)oxan-4-amine?
The InChIKey is UCVOWRKSODWMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)5-7(10)1-3-11-4-2-7/h6H,1-5,10H2.
What are the key properties of 4-(2,2-difluoroethyl)oxan-4-amine?
4-(2,2-difluoroethyl)oxan-4-amine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)oxan-4-amine is sourced from PubChem (CID 115013018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).