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

C8H12F3N3 — CID 79964687

IUPACN-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3/c1-12-4-6-5-13-7(14-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyZSPOEOBFVXJFHR-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.62
Rot. Bonds4

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

N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine (PubChem CID 79964687) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine
PubChem CID79964687
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC NameN-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine
SMILESCNCc1cnc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3/c1-12-4-6-5-13-7(14-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyZSPOEOBFVXJFHR-UHFFFAOYSA-N
XLogP1.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine (CID 79964687) is N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine is CNCc1cnc(CCC(F)(F)F)[nH]1.
What is the InChIKey of N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is ZSPOEOBFVXJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-12-4-6-5-13-7(14-6)2-3-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14).
What are the key properties of N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine?
N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 79964687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).