2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine

C8H14F3NO — CID 129076842

IUPAC2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine
SMILESCC1CC(N)C(C)OC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-3-6(12)5(2)13-7(4)8(9,10)11/h4-7H,3,12H2,1-2H3
InChIKeyQFSKHZLXWMKBFY-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds

About 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine

2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine (PubChem CID 129076842) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine
PubChem CID129076842
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine
SMILESCC1CC(N)C(C)OC1C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-3-6(12)5(2)13-7(4)8(9,10)11/h4-7H,3,12H2,1-2H3
InChIKeyQFSKHZLXWMKBFY-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine (CID 129076842) is 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine is CC1CC(N)C(C)OC1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine?
The InChIKey is QFSKHZLXWMKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-3-6(12)5(2)13-7(4)8(9,10)11/h4-7H,3,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine?
2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 129076842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).