(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene

C6H6FN3 — CID 141079333

IUPAC(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene
SMILES[N-]=[N+]=N[C@H]1C=C[C@H]2[C@@H](F)[C@H]21
InChIInChI=1S/C6H6FN3/c7-6-3-1-2-4(5(3)6)9-10-8/h1-6H/t3-,4+,5-,6-/m1/s1
InChIKeyCFCCYBLBOWYCBK-JGWLITMVSA-N
MW139.13 g/mol
LogP1.82
Rot. Bonds1

About (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene

(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene (PubChem CID 141079333) has the molecular formula C6H6FN3 and a molecular weight of 139.13 g/mol. Its IUPAC name is (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene
PubChem CID141079333
Molecular FormulaC6H6FN3
Molecular Weight139.13 g/mol
Exact Mass139.05
IUPAC Name(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene
SMILES[N-]=[N+]=N[C@H]1C=C[C@H]2[C@@H](F)[C@H]21
InChIInChI=1S/C6H6FN3/c7-6-3-1-2-4(5(3)6)9-10-8/h1-6H/t3-,4+,5-,6-/m1/s1
InChIKeyCFCCYBLBOWYCBK-JGWLITMVSA-N
XLogP1.82
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.82
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene (CID 141079333) is (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene is [N-]=[N+]=N[C@H]1C=C[C@H]2[C@@H](F)[C@H]21.
What is the InChIKey of (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene?
The InChIKey is CFCCYBLBOWYCBK-JGWLITMVSA-N. The full InChI is InChI=1S/C6H6FN3/c7-6-3-1-2-4(5(3)6)9-10-8/h1-6H/t3-,4+,5-,6-/m1/s1.
What are the key properties of (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene?
(1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene has a molecular weight of 139.13 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6R)-4-azido-6-fluorobicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 141079333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).