oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine

C9H12F3N3O — CID 102970438

IUPACoxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
SMILESNC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-3-14-8(15-6)7(13)5-1-2-16-4-5/h3,5,7H,1-2,4,13H2,(H,14,15)
InChIKeyYBUJDZBROFUDHX-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.46
Rot. Bonds2

About oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine

oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine (PubChem CID 102970438) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
PubChem CID102970438
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Nameoxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
SMILESNC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-3-14-8(15-6)7(13)5-1-2-16-4-5/h3,5,7H,1-2,4,13H2,(H,14,15)
InChIKeyYBUJDZBROFUDHX-UHFFFAOYSA-N
XLogP1.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine (CID 102970438) is oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine is NC(c1ncc(C(F)(F)F)[nH]1)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is YBUJDZBROFUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-3-14-8(15-6)7(13)5-1-2-16-4-5/h3,5,7H,1-2,4,13H2,(H,14,15).
What are the key properties of oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine?
oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 235.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 102970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).