1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene

C7H2F5N3 — CID 6424875

IUPAC1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene
SMILES[N-]=[N+]=NCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5N3/c8-3-2(1-14-15-13)4(9)6(11)7(12)5(3)10/h1H2
InChIKeyPMKKKTQBUGNJPJ-UHFFFAOYSA-N
MW223.10 g/mol
LogP3.19
Rot. Bonds2

About 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene

1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 6424875) has the molecular formula C7H2F5N3 and a molecular weight of 223.10 g/mol. Its IUPAC name is 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID6424875
Molecular FormulaC7H2F5N3
Molecular Weight223.10 g/mol
Exact Mass223.02
IUPAC Name1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene
SMILES[N-]=[N+]=NCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5N3/c8-3-2(1-14-15-13)4(9)6(11)7(12)5(3)10/h1H2
InChIKeyPMKKKTQBUGNJPJ-UHFFFAOYSA-N
XLogP3.19
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 53.19
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(azidomethyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174537571
1-(azidomethyl)-2-fluoronaphthalene
CID 134162348
1-(azidomethyl)-4-fluorobenzene
CID 11205864
1-(azidomethyl)-2,3-difluorobenzene
CID 21282623
2-(azidomethyl)-1,3,5-trichlorobenzene
CID 151190650
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
1-(azidomethyl)-3,5-bis(bromomethyl)-2,4,6-trimethylbenzene
CID 141330509
1,3,5-tris(azidomethyl)-2,4,6-triphenylbenzene
CID 174786446
5-(azidomethyl)-1,3,4,6,7-pentafluorocyclohepta-1,2,4,6-tetraene
CID 155327745
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
9-(azidomethyl)-10-methylanthracene
CID 123541544
CID 25242014
CID 25242014

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene (CID 6424875) is 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene is [N-]=[N+]=NCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is PMKKKTQBUGNJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F5N3/c8-3-2(1-14-15-13)4(9)6(11)7(12)5(3)10/h1H2.
What are the key properties of 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene?
1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 223.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 6424875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).