1-(3-azidopropyl)-3-fluoro-2-methylbenzene

C10H12FN3 — CID 59125368

IUPAC1-(3-azidopropyl)-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1CCCN=[N+]=[N-]
InChIInChI=1S/C10H12FN3/c1-8-9(4-2-6-10(8)11)5-3-7-13-14-12/h2,4,6H,3,5,7H2,1H3
InChIKeyUBLHVQZCCSIKCY-UHFFFAOYSA-N
MW193.23 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-azidopropyl)-3-fluoro-2-methylbenzene

1-(3-azidopropyl)-3-fluoro-2-methylbenzene (PubChem CID 59125368) has the molecular formula C10H12FN3 and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(3-azidopropyl)-3-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(3-azidopropyl)-3-fluoro-2-methylbenzene
PubChem CID59125368
Molecular FormulaC10H12FN3
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name1-(3-azidopropyl)-3-fluoro-2-methylbenzene
SMILESCc1c(F)cccc1CCCN=[N+]=[N-]
InChIInChI=1S/C10H12FN3/c1-8-9(4-2-6-10(8)11)5-3-7-13-14-12/h2,4,6H,3,5,7H2,1H3
InChIKeyUBLHVQZCCSIKCY-UHFFFAOYSA-N
XLogP3.38
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3-azidopropyl)-3-fluoro-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

CID 167681382
CID 167681382
1-(azidomethyl)-2,3-difluorobenzene
CID 21282623
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
CID 155731306
CID 155731306
1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
CID 155712803
1-azido-3-fluoro-2-methylbenzene
CID 56828422
2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 61412793
1-(3-azidopropylsulfinyl)-2-fluorobenzene
CID 61396870
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
1-fluoro-2,3-dioctylbenzene
CID 67729666
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-3-fluoro-2-methylbenzene?
The IUPAC name of 1-(3-azidopropyl)-3-fluoro-2-methylbenzene (CID 59125368) is 1-(3-azidopropyl)-3-fluoro-2-methylbenzene.
What is the SMILES notation for 1-(3-azidopropyl)-3-fluoro-2-methylbenzene?
The canonical SMILES for 1-(3-azidopropyl)-3-fluoro-2-methylbenzene is Cc1c(F)cccc1CCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropyl)-3-fluoro-2-methylbenzene?
The InChIKey is UBLHVQZCCSIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-8-9(4-2-6-10(8)11)5-3-7-13-14-12/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 1-(3-azidopropyl)-3-fluoro-2-methylbenzene?
1-(3-azidopropyl)-3-fluoro-2-methylbenzene has a molecular weight of 193.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-3-fluoro-2-methylbenzene is sourced from PubChem (CID 59125368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).