3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine

C15H16F3N3O — CID 71523652

IUPAC3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine
SMILESCC(c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1)C1(N)COC1
InChIInChI=1S/C15H16F3N3O/c1-9(14(19)7-22-8-14)13-20-6-12(21-13)10-2-4-11(5-3-10)15(16,17)18/h2-6,9H,7-8,19H2,1H3,(H,20,21)
InChIKeyWEAFAWYVJKPGDN-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.93
Rot. Bonds3

About 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine

3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine (PubChem CID 71523652) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine
PubChem CID71523652
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine
SMILESCC(c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1)C1(N)COC1
InChIInChI=1S/C15H16F3N3O/c1-9(14(19)7-22-8-14)13-20-6-12(21-13)10-2-4-11(5-3-10)15(16,17)18/h2-6,9H,7-8,19H2,1H3,(H,20,21)
InChIKeyWEAFAWYVJKPGDN-UHFFFAOYSA-N
XLogP2.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine?
The IUPAC name of 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine (CID 71523652) is 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine.
What is the SMILES notation for 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine?
The canonical SMILES for 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine is CC(c1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1)C1(N)COC1.
What is the InChIKey of 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine?
The InChIKey is WEAFAWYVJKPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9(14(19)7-22-8-14)13-20-6-12(21-13)10-2-4-11(5-3-10)15(16,17)18/h2-6,9H,7-8,19H2,1H3,(H,20,21).
What are the key properties of 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine?
3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine has a molecular weight of 311.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]oxetan-3-amine is sourced from PubChem (CID 71523652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).