[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride

C7H13ClF3NO — CID 175812793

IUPAC[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-2-1-5(3-11)4-12-6;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1
InChIKeyRBWWTCMSTYEIRD-KGZKBUQUSA-N
MW219.63 g/mol
LogP1.72
Rot. Bonds1

About [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride

[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride (PubChem CID 175812793) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
PubChem CID175812793
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-2-1-5(3-11)4-12-6;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1
InChIKeyRBWWTCMSTYEIRD-KGZKBUQUSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride (CID 175812793) is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride is Cl.NC[C@H]1CC[C@H](C(F)(F)F)OC1.
What is the InChIKey of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride?
The InChIKey is RBWWTCMSTYEIRD-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-2-1-5(3-11)4-12-6;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1.
What are the key properties of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride?
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 175812793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).