2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

C7H10F4N4 — CID 103529326

IUPAC2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCC(F)(F)C(F)F)nn1
InChIInChI=1S/C7H10F4N4/c1-15-3-5(13-14-15)2-12-4-7(10,11)6(8)9/h3,6,12H,2,4H2,1H3
InChIKeyCPQPZEFRTXEKQE-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.81
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 103529326) has the molecular formula C7H10F4N4 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID103529326
Molecular FormulaC7H10F4N4
Molecular Weight226.18 g/mol
Exact Mass226.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCC(F)(F)C(F)F)nn1
InChIInChI=1S/C7H10F4N4/c1-15-3-5(13-14-15)2-12-4-7(10,11)6(8)9/h3,6,12H,2,4H2,1H3
InChIKeyCPQPZEFRTXEKQE-UHFFFAOYSA-N
XLogP0.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine 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

1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191
3-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054038
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 63983700
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62755280
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
3-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755404
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (CID 103529326) is 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is Cn1cc(CNCC(F)(F)C(F)F)nn1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is CPQPZEFRTXEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N4/c1-15-3-5(13-14-15)2-12-4-7(10,11)6(8)9/h3,6,12H,2,4H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 226.18 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 103529326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).