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

C6H14ClF3N2O — CID 141430854

IUPACazane;4-(trifluoromethyl)oxan-4-amine;hydrochloride
SMILESCl.N.NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO.ClH.H3N/c7-6(8,9)5(10)1-3-11-4-2-5;;/h1-4,10H2;1H;1H3
InChIKeyCTXDJTSHRUCWHS-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.64
Rot. Bonds

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

azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride (PubChem CID 141430854) has the molecular formula C6H14ClF3N2O and a molecular weight of 222.64 g/mol. Its IUPAC name is azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound Nameazane;4-(trifluoromethyl)oxan-4-amine;hydrochloride
PubChem CID141430854
Molecular FormulaC6H14ClF3N2O
Molecular Weight222.64 g/mol
Exact Mass222.07
IUPAC Nameazane;4-(trifluoromethyl)oxan-4-amine;hydrochloride
SMILESCl.N.NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C6H10F3NO.ClH.H3N/c7-6(8,9)5(10)1-3-11-4-2-5;;/h1-4,10H2;1H;1H3
InChIKeyCTXDJTSHRUCWHS-UHFFFAOYSA-N
XLogP1.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The IUPAC name of azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride (CID 141430854) is azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride is Cl.N.NC1(C(F)(F)F)CCOCC1.
What is the InChIKey of azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride?
The InChIKey is CTXDJTSHRUCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH.H3N/c7-6(8,9)5(10)1-3-11-4-2-5;;/h1-4,10H2;1H;1H3.
What are the key properties of azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride?
azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride has a molecular weight of 222.64 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(trifluoromethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 141430854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).