2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine

C8H11F4N3 — CID 106289527

IUPAC2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]cnc1CNCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3/c1-5-6(15-4-14-5)2-13-3-8(11,12)7(9)10/h4,7,13H,2-3H2,1H3,(H,14,15)
InChIKeyMRBVYTUWAQYIFM-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.71
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine (PubChem CID 106289527) has the molecular formula C8H11F4N3 and a molecular weight of 225.19 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
PubChem CID106289527
Molecular FormulaC8H11F4N3
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC Name2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]cnc1CNCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3/c1-5-6(15-4-14-5)2-13-3-8(11,12)7(9)10/h4,7,13H,2-3H2,1H3,(H,14,15)
InChIKeyMRBVYTUWAQYIFM-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine (CID 106289527) is 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine is Cc1[nH]cnc1CNCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine?
The InChIKey is MRBVYTUWAQYIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3/c1-5-6(15-4-14-5)2-13-3-8(11,12)7(9)10/h4,7,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine has a molecular weight of 225.19 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106289527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).