4-(trifluoromethyl)oxan-4-amine;hydrochloride

C6H11ClF3NO — CID 54595883

IUPAC4-(trifluoromethyl)oxan-4-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)1-3-11-4-2-5;/h1-4,10H2;1H
InChIKeyOWTXHERLFKABLD-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.48
Rot. Bonds

About 4-(trifluoromethyl)oxan-4-amine;hydrochloride

4-(trifluoromethyl)oxan-4-amine;hydrochloride (PubChem CID 54595883) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 4-(trifluoromethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)oxan-4-amine;hydrochloride
PubChem CID54595883
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name4-(trifluoromethyl)oxan-4-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)1-3-11-4-2-5;/h1-4,10H2;1H
InChIKeyOWTXHERLFKABLD-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)oxan-4-amine;hydrochloride (CID 54595883) is 4-(trifluoromethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)oxan-4-amine;hydrochloride is Cl.NC1(C(F)(F)F)CCOCC1.
What is the InChIKey of 4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The InChIKey is OWTXHERLFKABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10)1-3-11-4-2-5;/h1-4,10H2;1H.
What are the key properties of 4-(trifluoromethyl)oxan-4-amine;hydrochloride?
4-(trifluoromethyl)oxan-4-amine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 54595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).