3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride

C10H11ClF3NO — CID 56604671

IUPAC3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(C(F)(F)F)cc2)COC1
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKeyLREFYQKSBQNBAE-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.31
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride

3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride (PubChem CID 56604671) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride
PubChem CID56604671
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(C(F)(F)F)cc2)COC1
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKeyLREFYQKSBQNBAE-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride (CID 56604671) is 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride is Cl.NC1(c2ccc(C(F)(F)F)cc2)COC1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride?
The InChIKey is LREFYQKSBQNBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride?
3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]oxetan-3-amine;hydrochloride is sourced from PubChem (CID 56604671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).