CID 167681382

C8H12FN3 — CID 167681382

IUPAC—
SMILES[2H][2H].[2H][2H].[N-]=[N+]=NCCc1ccccc1F
InChIInChI=1S/C8H8FN3.2H2/c9-8-4-2-1-3-7(8)5-6-11-12-10;;/h1-4H,5-6H2;2*1H/i;2*1+1D
InChIKeyVPAUZFAWXDUORD-ODPOAJPDSA-N
MW173.23 g/mol
LogP3.17
Rot. Bonds3

About CID 167681382

CID 167681382 (PubChem CID 167681382) has the molecular formula C8H12FN3 and a molecular weight of 173.23 g/mol.

Molecular Properties

Compound NameCID 167681382
PubChem CID167681382
Molecular FormulaC8H12FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name—
SMILES[2H][2H].[2H][2H].[N-]=[N+]=NCCc1ccccc1F
InChIInChI=1S/C8H8FN3.2H2/c9-8-4-2-1-3-7(8)5-6-11-12-10;;/h1-4H,5-6H2;2*1H/i;2*1+1D
InChIKeyVPAUZFAWXDUORD-ODPOAJPDSA-N
XLogP3.17
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 53.17
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

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CID 11021288
1-(2-azidoethyl)-2-chloro-4-fluorobenzene
CID 151122576
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
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1-(2-azidoethyl)-2,3-dimethoxybenzene
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1-(3-azidopropylsulfinyl)-2-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of CID 167681382?
The IUPAC name of CID 167681382 (CID 167681382) is not available.
What is the SMILES notation for CID 167681382?
The canonical SMILES for CID 167681382 is [2H][2H].[2H][2H].[N-]=[N+]=NCCc1ccccc1F.
What is the InChIKey of CID 167681382?
The InChIKey is VPAUZFAWXDUORD-ODPOAJPDSA-N. The full InChI is InChI=1S/C8H8FN3.2H2/c9-8-4-2-1-3-7(8)5-6-11-12-10;;/h1-4H,5-6H2;2*1H/i;2*1+1D.
What are the key properties of CID 167681382?
CID 167681382 has a molecular weight of 173.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167681382 is sourced from PubChem (CID 167681382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).