1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane

C4F7N3 — CID 141339569

IUPAC1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane
SMILES[N-]=[N+]=NC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F7N3/c5-1(6)2(7,8)4(11,13-14-12)3(1,9)10
InChIKeyIZVHFVLXJOGAHV-UHFFFAOYSA-N
MW223.05 g/mol
LogP2.88
Rot. Bonds1

About 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane

1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane (PubChem CID 141339569) has the molecular formula C4F7N3 and a molecular weight of 223.05 g/mol. Its IUPAC name is 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane.

Molecular Properties

Compound Name1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane
PubChem CID141339569
Molecular FormulaC4F7N3
Molecular Weight223.05 g/mol
Exact Mass223.00
IUPAC Name1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane
SMILES[N-]=[N+]=NC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F7N3/c5-1(6)2(7,8)4(11,13-14-12)3(1,9)10
InChIKeyIZVHFVLXJOGAHV-UHFFFAOYSA-N
XLogP2.88
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 52.88
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 86068783
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CID 162355786
azane;1,1-diazidocyclopropane
CID 174882116
1-azido-1-methylcyclobutane
CID 126726881
1-azido-1-methylcycloundecane
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CID 23413826
CID 23413826
CID 162284017
CID 162284017
2-azido-2-fluoro-3H-inden-1-one
CID 176914009
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
3-azido-3-methylcyclobutan-1-amine
CID 150674806
azidomethane;ethane;yttrium
CID 58101916
1-azidocyclododecane-1-carbonitrile
CID 24974192

Frequently Asked Questions

What is the IUPAC name of 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane?
The IUPAC name of 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane (CID 141339569) is 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane.
What is the SMILES notation for 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane?
The canonical SMILES for 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane is [N-]=[N+]=NC1(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane?
The InChIKey is IZVHFVLXJOGAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F7N3/c5-1(6)2(7,8)4(11,13-14-12)3(1,9)10.
What are the key properties of 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane?
1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane has a molecular weight of 223.05 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane is sourced from PubChem (CID 141339569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).