2-(2,2-difluoropropoxy)ethanamine

C5H11F2NO — CID 84648385

IUPAC2-(2,2-difluoropropoxy)ethanamine
SMILESCC(F)(F)COCCN
InChIInChI=1S/C5H11F2NO/c1-5(6,7)4-9-3-2-8/h2-4,8H2,1H3
InChIKeyQFCPYVNXZOLVMZ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.62
Rot. Bonds4

About 2-(2,2-difluoropropoxy)ethanamine

2-(2,2-difluoropropoxy)ethanamine (PubChem CID 84648385) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)ethanamine
PubChem CID84648385
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name2-(2,2-difluoropropoxy)ethanamine
SMILESCC(F)(F)COCCN
InChIInChI=1S/C5H11F2NO/c1-5(6,7)4-9-3-2-8/h2-4,8H2,1H3
InChIKeyQFCPYVNXZOLVMZ-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.62
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-(2,2-difluoropropoxy)ethanamine?
The IUPAC name of 2-(2,2-difluoropropoxy)ethanamine (CID 84648385) is 2-(2,2-difluoropropoxy)ethanamine.
What is the SMILES notation for 2-(2,2-difluoropropoxy)ethanamine?
The canonical SMILES for 2-(2,2-difluoropropoxy)ethanamine is CC(F)(F)COCCN.
What is the InChIKey of 2-(2,2-difluoropropoxy)ethanamine?
The InChIKey is QFCPYVNXZOLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(6,7)4-9-3-2-8/h2-4,8H2,1H3.
What are the key properties of 2-(2,2-difluoropropoxy)ethanamine?
2-(2,2-difluoropropoxy)ethanamine has a molecular weight of 139.15 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)ethanamine is sourced from PubChem (CID 84648385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).