1-(azidomethyl)-4-fluorobenzene

C7H6FN3 — CID 11205864

IUPAC1-(azidomethyl)-4-fluorobenzene
SMILES[N-]=[N+]=NCc1ccc(F)cc1
InChIInChI=1S/C7H6FN3/c8-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2
InChIKeyUEQMFQIPTDUPPJ-UHFFFAOYSA-N
MW151.14 g/mol
LogP2.64
Rot. Bonds2

About 1-(azidomethyl)-4-fluorobenzene

1-(azidomethyl)-4-fluorobenzene (PubChem CID 11205864) has the molecular formula C7H6FN3 and a molecular weight of 151.14 g/mol. Its IUPAC name is 1-(azidomethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(azidomethyl)-4-fluorobenzene
PubChem CID11205864
Molecular FormulaC7H6FN3
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name1-(azidomethyl)-4-fluorobenzene
SMILES[N-]=[N+]=NCc1ccc(F)cc1
InChIInChI=1S/C7H6FN3/c8-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2
InChIKeyUEQMFQIPTDUPPJ-UHFFFAOYSA-N
XLogP2.64
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 52.64
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'}

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Related Compounds

1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-(azidomethyl)-4-(difluoromethylsulfanyl)benzene
CID 152694403
2,2,4,4,6,6-hexakis[4-(azidomethyl)phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 25149547
1-(azidomethyl)-4-isothiocyanatobenzene
CID 151143822
1-(azidomethyl)-3-bromo-5-fluorobenzene
CID 79702529
N-[[4-(azidomethyl)phenyl]methylidene]hydroxylamine
CID 76540150
3-(azidomethyl)-5-fluoropyridine
CID 103845732
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
3-(azidomethyl)-1H-pyrrole
CID 150253677
1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
CID 132524710
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-4-fluorobenzene?
The IUPAC name of 1-(azidomethyl)-4-fluorobenzene (CID 11205864) is 1-(azidomethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(azidomethyl)-4-fluorobenzene?
The canonical SMILES for 1-(azidomethyl)-4-fluorobenzene is [N-]=[N+]=NCc1ccc(F)cc1.
What is the InChIKey of 1-(azidomethyl)-4-fluorobenzene?
The InChIKey is UEQMFQIPTDUPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3/c8-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2.
What are the key properties of 1-(azidomethyl)-4-fluorobenzene?
1-(azidomethyl)-4-fluorobenzene has a molecular weight of 151.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-4-fluorobenzene is sourced from PubChem (CID 11205864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).