3-(difluoromethoxy)propan-1-amine

C4H9F2NO — CID 75488618

IUPAC3-(difluoromethoxy)propan-1-amine
SMILESNCCCOC(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2
InChIKeyNGOXWLLNLLNQFF-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.57
Rot. Bonds4

About 3-(difluoromethoxy)propan-1-amine

3-(difluoromethoxy)propan-1-amine (PubChem CID 75488618) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)propan-1-amine
PubChem CID75488618
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3-(difluoromethoxy)propan-1-amine
SMILESNCCCOC(F)F
InChIInChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2
InChIKeyNGOXWLLNLLNQFF-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.57
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 3-(difluoromethoxy)propan-1-amine?
The IUPAC name of 3-(difluoromethoxy)propan-1-amine (CID 75488618) is 3-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)propan-1-amine is NCCCOC(F)F.
What is the InChIKey of 3-(difluoromethoxy)propan-1-amine?
The InChIKey is NGOXWLLNLLNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c5-4(6)8-3-1-2-7/h4H,1-3,7H2.
What are the key properties of 3-(difluoromethoxy)propan-1-amine?
3-(difluoromethoxy)propan-1-amine has a molecular weight of 125.12 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 75488618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).