3-[3-(trifluoromethyl)phenyl]oxetan-3-amine

C10H10F3NO — CID 56604187

IUPAC3-[3-(trifluoromethyl)phenyl]oxetan-3-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)COC1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2
InChIKeyRQVISRRMGVHPRR-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.89
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine

3-[3-(trifluoromethyl)phenyl]oxetan-3-amine (PubChem CID 56604187) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]oxetan-3-amine
PubChem CID56604187
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]oxetan-3-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)COC1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2
InChIKeyRQVISRRMGVHPRR-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine (CID 56604187) is 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine is NC1(c2cccc(C(F)(F)F)c2)COC1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine?
The InChIKey is RQVISRRMGVHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine?
3-[3-(trifluoromethyl)phenyl]oxetan-3-amine has a molecular weight of 217.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]oxetan-3-amine is sourced from PubChem (CID 56604187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).