3-azido-1-bromo-1,1-difluoropropane

C3H4BrF2N3 — CID 22571476

IUPAC3-azido-1-bromo-1,1-difluoropropane
SMILES[N-]=[N+]=NCCC(F)(F)Br
InChIInChI=1S/C3H4BrF2N3/c4-3(5,6)1-2-8-9-7/h1-2H2
InChIKeyNHRKVKPDTMIAJI-UHFFFAOYSA-N
MW199.99 g/mol
LogP2.67
Rot. Bonds3

About 3-azido-1-bromo-1,1-difluoropropane

3-azido-1-bromo-1,1-difluoropropane (PubChem CID 22571476) has the molecular formula C3H4BrF2N3 and a molecular weight of 199.99 g/mol. Its IUPAC name is 3-azido-1-bromo-1,1-difluoropropane.

Molecular Properties

Compound Name3-azido-1-bromo-1,1-difluoropropane
PubChem CID22571476
Molecular FormulaC3H4BrF2N3
Molecular Weight199.99 g/mol
Exact Mass198.96
IUPAC Name3-azido-1-bromo-1,1-difluoropropane
SMILES[N-]=[N+]=NCCC(F)(F)Br
InChIInChI=1S/C3H4BrF2N3/c4-3(5,6)1-2-8-9-7/h1-2H2
InChIKeyNHRKVKPDTMIAJI-UHFFFAOYSA-N
XLogP2.67
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.99
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-azido-1-bromo-1,1-difluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-azido-1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 162536028
6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 150637260
4-azido-1,1,1,2-tetrafluorobutane
CID 150218662
2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
CID 102514805
4-azido-2,2-dimethylbutanal
CID 151597619
10-azido-3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)dec-1-ene
CID 19768122
1-(2-azidoethyl)-3,5-bis(trifluoromethyl)benzene
CID 71419492
2-(2-azidoethyl)-3-(trifluoromethyl)pyridine
CID 150181996
1,14-diazidotetradecane
CID 146463967
1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
CID 140930764
3-azido-2,2-difluoropropan-1-amine
CID 150560121
2-(2-azido-1,1-difluoroethyl)thiophene
CID 166604060

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-bromo-1,1-difluoropropane?
The IUPAC name of 3-azido-1-bromo-1,1-difluoropropane (CID 22571476) is 3-azido-1-bromo-1,1-difluoropropane.
What is the SMILES notation for 3-azido-1-bromo-1,1-difluoropropane?
The canonical SMILES for 3-azido-1-bromo-1,1-difluoropropane is [N-]=[N+]=NCCC(F)(F)Br.
What is the InChIKey of 3-azido-1-bromo-1,1-difluoropropane?
The InChIKey is NHRKVKPDTMIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrF2N3/c4-3(5,6)1-2-8-9-7/h1-2H2.
What are the key properties of 3-azido-1-bromo-1,1-difluoropropane?
3-azido-1-bromo-1,1-difluoropropane has a molecular weight of 199.99 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-bromo-1,1-difluoropropane is sourced from PubChem (CID 22571476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).