(4,4-difluorooxan-3-yl)methanamine

C6H11F2NO — CID 84763241

IUPAC(4,4-difluorooxan-3-yl)methanamine
SMILESNCC1COCCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2
InChIKeyPTAURELGQVTFTG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.62
Rot. Bonds1

About (4,4-difluorooxan-3-yl)methanamine

(4,4-difluorooxan-3-yl)methanamine (PubChem CID 84763241) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (4,4-difluorooxan-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorooxan-3-yl)methanamine
PubChem CID84763241
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(4,4-difluorooxan-3-yl)methanamine
SMILESNCC1COCCC1(F)F
InChIInChI=1S/C6H11F2NO/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2
InChIKeyPTAURELGQVTFTG-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluorooxan-3-yl)methanamine 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 (4,4-difluorooxan-3-yl)methanamine?
The IUPAC name of (4,4-difluorooxan-3-yl)methanamine (CID 84763241) is (4,4-difluorooxan-3-yl)methanamine.
What is the SMILES notation for (4,4-difluorooxan-3-yl)methanamine?
The canonical SMILES for (4,4-difluorooxan-3-yl)methanamine is NCC1COCCC1(F)F.
What is the InChIKey of (4,4-difluorooxan-3-yl)methanamine?
The InChIKey is PTAURELGQVTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)1-2-10-4-5(6)3-9/h5H,1-4,9H2.
What are the key properties of (4,4-difluorooxan-3-yl)methanamine?
(4,4-difluorooxan-3-yl)methanamine has a molecular weight of 151.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorooxan-3-yl)methanamine is sourced from PubChem (CID 84763241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).