1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene

C10H11F2N3 — CID 71270055

IUPAC1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
SMILESCc1c(CC(C)N=[N+]=[N-])ccc(F)c1F
InChIInChI=1S/C10H11F2N3/c1-6(14-15-13)5-8-3-4-9(11)10(12)7(8)2/h3-4,6H,5H2,1-2H3
InChIKeyYUMCJFIYUZVIPI-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene

1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene (PubChem CID 71270055) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
PubChem CID71270055
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
SMILESCc1c(CC(C)N=[N+]=[N-])ccc(F)c1F
InChIInChI=1S/C10H11F2N3/c1-6(14-15-13)5-8-3-4-9(11)10(12)7(8)2/h3-4,6H,5H2,1-2H3
InChIKeyYUMCJFIYUZVIPI-UHFFFAOYSA-N
XLogP3.51
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.51
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 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene 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-[(2R)-2-azidopropyl]-2-methylbenzene
CID 154709566
1-(2-chloroethyl)-3,4-difluoro-2-methylbenzene
CID 130139628
1-(2-azidopropyl)-4-tert-butylbenzene
CID 122211561
2-azido-1-fluoropropane
CID 90071862
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
1-(2-azidopropyl)-4-nitrosobenzene
CID 173493901
ethyl 2-(2-azido-3,4-difluorophenyl)acetate
CID 174847097
1-(2,4-difluoro-3-methylphenyl)butan-2-amine
CID 55254777
1-[2-(aminomethyl)-3,4-difluorophenyl]propan-2-ol
CID 174763892
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene?
The IUPAC name of 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene (CID 71270055) is 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene.
What is the SMILES notation for 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene?
The canonical SMILES for 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene is Cc1c(CC(C)N=[N+]=[N-])ccc(F)c1F.
What is the InChIKey of 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene?
The InChIKey is YUMCJFIYUZVIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6(14-15-13)5-8-3-4-9(11)10(12)7(8)2/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene?
1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene has a molecular weight of 211.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene is sourced from PubChem (CID 71270055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).