3-azido-1-[(3,4-difluorophenyl)methyl]azetidine

C10H10F2N4 — CID 121200093

IUPAC3-azido-1-[(3,4-difluorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2N4/c11-9-2-1-7(3-10(9)12)4-16-5-8(6-16)14-15-13/h1-3,8H,4-6H2
InChIKeyCOGLJSVSQBGMHI-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.46
Rot. Bonds3

About 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine

3-azido-1-[(3,4-difluorophenyl)methyl]azetidine (PubChem CID 121200093) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-azido-1-[(3,4-difluorophenyl)methyl]azetidine
PubChem CID121200093
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name3-azido-1-[(3,4-difluorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2N4/c11-9-2-1-7(3-10(9)12)4-16-5-8(6-16)14-15-13/h1-3,8H,4-6H2
InChIKeyCOGLJSVSQBGMHI-UHFFFAOYSA-N
XLogP2.46
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine?
The IUPAC name of 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine (CID 121200093) is 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine?
The canonical SMILES for 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine is [N-]=[N+]=NC1CN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine?
The InChIKey is COGLJSVSQBGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-9-2-1-7(3-10(9)12)4-16-5-8(6-16)14-15-13/h1-3,8H,4-6H2.
What are the key properties of 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine?
3-azido-1-[(3,4-difluorophenyl)methyl]azetidine has a molecular weight of 224.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[(3,4-difluorophenyl)methyl]azetidine is sourced from PubChem (CID 121200093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).