(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride

C7H13ClF3NO — CID 175543844

IUPAC(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride
SMILESCN[C@H]1CC[C@H](C(F)(F)F)OC1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-11-5-2-3-6(12-4-5)7(8,9)10;/h5-6,11H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyGKSYXQVORQFVDK-RIHPBJNCSA-N
MW219.63 g/mol
LogP1.74
Rot. Bonds1

About (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride

(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride (PubChem CID 175543844) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride
PubChem CID175543844
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride
SMILESCN[C@H]1CC[C@H](C(F)(F)F)OC1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-11-5-2-3-6(12-4-5)7(8,9)10;/h5-6,11H,2-4H2,1H3;1H/t5-,6+;/m0./s1
InChIKeyGKSYXQVORQFVDK-RIHPBJNCSA-N
XLogP1.74
TPSA21.26 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 90260558
(3R,6S)-6-(trifluoromethyl)oxan-3-amine
CID 117688953
(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine
CID 129076819
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
6-(Trifluoromethyl)tetrahydro-2H-pyran-3-amine
CID 144979063
Methanidyl-[2,2,2-trifluoro-1-(oxan-2-yl)ethyl]azanium
CID 155624937
3-Fluoro-5-methoxy-2-methylpiperidine
CID 164775489
(2R)-N-methyl-2-(trifluoromethyl)oxan-4-amine
CID 166854554
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
CID 171531417
N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride
CID 175543902
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride?
The IUPAC name of (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride (CID 175543844) is (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride.
What is the SMILES notation for (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride?
The canonical SMILES for (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride is CN[C@H]1CC[C@H](C(F)(F)F)OC1.Cl.
What is the InChIKey of (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride?
The InChIKey is GKSYXQVORQFVDK-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c1-11-5-2-3-6(12-4-5)7(8,9)10;/h5-6,11H,2-4H2,1H3;1H/t5-,6+;/m0./s1.
What are the key properties of (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride?
(3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-methyl-6-(trifluoromethyl)oxan-3-amine;hydrochloride is sourced from PubChem (CID 175543844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).