4-azido-1,1,1,2-tetrafluorobutane

C4H5F4N3 — CID 150218662

IUPAC4-azido-1,1,1,2-tetrafluorobutane
SMILES[N-]=[N+]=NCCC(F)C(F)(F)F
InChIInChI=1S/C4H5F4N3/c5-3(4(6,7)8)1-2-10-11-9/h3H,1-2H2
InChIKeyFTAAHDULPVPHJT-UHFFFAOYSA-N
MW171.10 g/mol
LogP2.59
Rot. Bonds3

About 4-azido-1,1,1,2-tetrafluorobutane

4-azido-1,1,1,2-tetrafluorobutane (PubChem CID 150218662) has the molecular formula C4H5F4N3 and a molecular weight of 171.10 g/mol. Its IUPAC name is 4-azido-1,1,1,2-tetrafluorobutane.

Molecular Properties

Compound Name4-azido-1,1,1,2-tetrafluorobutane
PubChem CID150218662
Molecular FormulaC4H5F4N3
Molecular Weight171.10 g/mol
Exact Mass171.04
IUPAC Name4-azido-1,1,1,2-tetrafluorobutane
SMILES[N-]=[N+]=NCCC(F)C(F)(F)F
InChIInChI=1S/C4H5F4N3/c5-3(4(6,7)8)1-2-10-11-9/h3H,1-2H2
InChIKeyFTAAHDULPVPHJT-UHFFFAOYSA-N
XLogP2.59
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 4-azido-1,1,1,2-tetrafluorobutane 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

1-azido-2,3,3-trifluorobutane
CID 152500203
(4S)-1-azido-4-fluoropentane
CID 134547070
3-azido-1-bromo-1,1-difluoropropane
CID 22571476
2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane
CID 102514805
1-(2-azidoethyl)-3,5-bis(trifluoromethyl)benzene
CID 71419492
1-azido-4-methylpentane
CID 58070777
1,14-diazidotetradecane
CID 146463967
(2R)-1-azido-2-fluoro-3-methylbutane
CID 89243299
3-azido-2,2-difluoropropan-1-amine
CID 150560121
6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 150637260
4-azido-1-[2-fluoro-3-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171879991
4-azido-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butane-1,2-diol
CID 171879530

Frequently Asked Questions

What is the IUPAC name of 4-azido-1,1,1,2-tetrafluorobutane?
The IUPAC name of 4-azido-1,1,1,2-tetrafluorobutane (CID 150218662) is 4-azido-1,1,1,2-tetrafluorobutane.
What is the SMILES notation for 4-azido-1,1,1,2-tetrafluorobutane?
The canonical SMILES for 4-azido-1,1,1,2-tetrafluorobutane is [N-]=[N+]=NCCC(F)C(F)(F)F.
What is the InChIKey of 4-azido-1,1,1,2-tetrafluorobutane?
The InChIKey is FTAAHDULPVPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4N3/c5-3(4(6,7)8)1-2-10-11-9/h3H,1-2H2.
What are the key properties of 4-azido-1,1,1,2-tetrafluorobutane?
4-azido-1,1,1,2-tetrafluorobutane has a molecular weight of 171.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1,1,1,2-tetrafluorobutane is sourced from PubChem (CID 150218662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).