2-(2-azido-1,1-difluoroethyl)thiophene

C6H5F2N3S — CID 166604060

IUPAC2-(2-azido-1,1-difluoroethyl)thiophene
SMILES[N-]=[N+]=NCC(F)(F)c1cccs1
InChIInChI=1S/C6H5F2N3S/c7-6(8,4-10-11-9)5-2-1-3-12-5/h1-3H,4H2
InChIKeyVMGFVCPEAQSHGG-UHFFFAOYSA-N
MW189.19 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-azido-1,1-difluoroethyl)thiophene

2-(2-azido-1,1-difluoroethyl)thiophene (PubChem CID 166604060) has the molecular formula C6H5F2N3S and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-(2-azido-1,1-difluoroethyl)thiophene.

Molecular Properties

Compound Name2-(2-azido-1,1-difluoroethyl)thiophene
PubChem CID166604060
Molecular FormulaC6H5F2N3S
Molecular Weight189.19 g/mol
Exact Mass189.02
IUPAC Name2-(2-azido-1,1-difluoroethyl)thiophene
SMILES[N-]=[N+]=NCC(F)(F)c1cccs1
InChIInChI=1S/C6H5F2N3S/c7-6(8,4-10-11-9)5-2-1-3-12-5/h1-3H,4H2
InChIKeyVMGFVCPEAQSHGG-UHFFFAOYSA-N
XLogP3.15
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 53.15
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 2-(2-azido-1,1-difluoroethyl)thiophene?
The IUPAC name of 2-(2-azido-1,1-difluoroethyl)thiophene (CID 166604060) is 2-(2-azido-1,1-difluoroethyl)thiophene.
What is the SMILES notation for 2-(2-azido-1,1-difluoroethyl)thiophene?
The canonical SMILES for 2-(2-azido-1,1-difluoroethyl)thiophene is [N-]=[N+]=NCC(F)(F)c1cccs1.
What is the InChIKey of 2-(2-azido-1,1-difluoroethyl)thiophene?
The InChIKey is VMGFVCPEAQSHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3S/c7-6(8,4-10-11-9)5-2-1-3-12-5/h1-3H,4H2.
What are the key properties of 2-(2-azido-1,1-difluoroethyl)thiophene?
2-(2-azido-1,1-difluoroethyl)thiophene has a molecular weight of 189.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azido-1,1-difluoroethyl)thiophene is sourced from PubChem (CID 166604060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).