N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine

C9H13F4N3O — CID 103476695

IUPACN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C9H13F4N3O/c1-14-2-6-3-15-7(16-6)4-17-5-9(12,13)8(10)11/h3,8,14H,2,4-5H2,1H3,(H,15,16)
InChIKeyWALMAJBXCUQRRV-UHFFFAOYSA-N
MW255.21 g/mol
LogP1.55
Rot. Bonds7

About N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine

N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine (PubChem CID 103476695) has the molecular formula C9H13F4N3O and a molecular weight of 255.21 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine
PubChem CID103476695
Molecular FormulaC9H13F4N3O
Molecular Weight255.21 g/mol
Exact Mass255.10
IUPAC NameN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(COCC(F)(F)C(F)F)[nH]1
InChIInChI=1S/C9H13F4N3O/c1-14-2-6-3-15-7(16-6)4-17-5-9(12,13)8(10)11/h3,8,14H,2,4-5H2,1H3,(H,15,16)
InChIKeyWALMAJBXCUQRRV-UHFFFAOYSA-N
XLogP1.55
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine (CID 103476695) is N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(COCC(F)(F)C(F)F)[nH]1.
What is the InChIKey of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is WALMAJBXCUQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3O/c1-14-2-6-3-15-7(16-6)4-17-5-9(12,13)8(10)11/h3,8,14H,2,4-5H2,1H3,(H,15,16).
What are the key properties of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 255.21 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 103476695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).