3-azido-2,2-difluoropropan-1-amine

C3H6F2N4 — CID 150560121

IUPAC3-azido-2,2-difluoropropan-1-amine
SMILES[N-]=[N+]=NCC(F)(F)CN
InChIInChI=1S/C3H6F2N4/c4-3(5,1-6)2-8-9-7/h1-2,6H2
InChIKeyIJRBQHIMNWUWHN-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.89
Rot. Bonds3

About 3-azido-2,2-difluoropropan-1-amine

3-azido-2,2-difluoropropan-1-amine (PubChem CID 150560121) has the molecular formula C3H6F2N4 and a molecular weight of 136.10 g/mol. Its IUPAC name is 3-azido-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-azido-2,2-difluoropropan-1-amine
PubChem CID150560121
Molecular FormulaC3H6F2N4
Molecular Weight136.10 g/mol
Exact Mass136.06
IUPAC Name3-azido-2,2-difluoropropan-1-amine
SMILES[N-]=[N+]=NCC(F)(F)CN
InChIInChI=1S/C3H6F2N4/c4-3(5,1-6)2-8-9-7/h1-2,6H2
InChIKeyIJRBQHIMNWUWHN-UHFFFAOYSA-N
XLogP0.89
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-2,2-difluoropropan-1-amine?
The IUPAC name of 3-azido-2,2-difluoropropan-1-amine (CID 150560121) is 3-azido-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-azido-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-azido-2,2-difluoropropan-1-amine is [N-]=[N+]=NCC(F)(F)CN.
What is the InChIKey of 3-azido-2,2-difluoropropan-1-amine?
The InChIKey is IJRBQHIMNWUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N4/c4-3(5,1-6)2-8-9-7/h1-2,6H2.
What are the key properties of 3-azido-2,2-difluoropropan-1-amine?
3-azido-2,2-difluoropropan-1-amine has a molecular weight of 136.10 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2,2-difluoropropan-1-amine is sourced from PubChem (CID 150560121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).