2,2-difluoro-N-(2-methoxyethyl)propan-1-amine

C6H13F2NO — CID 131050605

IUPAC2,2-difluoro-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-6(7,8)5-9-3-4-10-2/h9H,3-5H2,1-2H3
InChIKeyQWWHTMIFDWCJHS-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.88
Rot. Bonds5

About 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine

2,2-difluoro-N-(2-methoxyethyl)propan-1-amine (PubChem CID 131050605) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)propan-1-amine
PubChem CID131050605
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-6(7,8)5-9-3-4-10-2/h9H,3-5H2,1-2H3
InChIKeyQWWHTMIFDWCJHS-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine (CID 131050605) is 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is QWWHTMIFDWCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-6(7,8)5-9-3-4-10-2/h9H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine?
2,2-difluoro-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 131050605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).