2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide

C7H10F2N4O — CID 103516020

IUPAC2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
SMILESO=C(NCCCn1ccnn1)C(F)F
InChIInChI=1S/C7H10F2N4O/c8-6(9)7(14)10-2-1-4-13-5-3-11-12-13/h3,5-6H,1-2,4H2,(H,10,14)
InChIKeyOEWPPCVUGQVYQJ-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.05
Rot. Bonds5

About 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide

2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide (PubChem CID 103516020) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
PubChem CID103516020
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
SMILESO=C(NCCCn1ccnn1)C(F)F
InChIInChI=1S/C7H10F2N4O/c8-6(9)7(14)10-2-1-4-13-5-3-11-12-13/h3,5-6H,1-2,4H2,(H,10,14)
InChIKeyOEWPPCVUGQVYQJ-UHFFFAOYSA-N
XLogP0.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]butanamide
CID 122560590
2,2-Difluoro-3-(1H-1,2,3-triazol-1-yl)propan-1-amine
CID 84651325
2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide
CID 103516019
2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755769
3-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755896
N-(3,3-difluoro-2-hydroxypropyl)-3-(triazol-1-yl)propanamide
CID 103769662
N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide
CID 103770287
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104096657
1-[2-(Triazol-1-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 104096770
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104099732
2,2,2-trifluoro-N-[2-(triazol-1-yl)ethyl]acetamide
CID 104100661
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104439227

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide (CID 103516020) is 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide is O=C(NCCCn1ccnn1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide?
The InChIKey is OEWPPCVUGQVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-6(9)7(14)10-2-1-4-13-5-3-11-12-13/h3,5-6H,1-2,4H2,(H,10,14).
What are the key properties of 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide?
2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide has a molecular weight of 204.18 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 103516020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).