oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine

C11H12F3NO — CID 138466513

IUPACoxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)C1COC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-7(2-4-9)10(15)8-5-16-6-8/h1-4,8,10H,5-6,15H2
InChIKeyZMGNALXKCPDIEB-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.35
Rot. Bonds2

About oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine

oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 138466513) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Nameoxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID138466513
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nameoxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)C1COC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-7(2-4-9)10(15)8-5-16-6-8/h1-4,8,10H,5-6,15H2
InChIKeyZMGNALXKCPDIEB-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine (CID 138466513) is oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)C1COC1.
What is the InChIKey of oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZMGNALXKCPDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-7(2-4-9)10(15)8-5-16-6-8/h1-4,8,10H,5-6,15H2.
What are the key properties of oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine?
oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 138466513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).