(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine

C7H12F3NO — CID 129076819

IUPAC(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine
SMILESC[C@@H]1O[C@@H](C(F)(F)F)CC[C@H]1N
InChIInChI=1S/C7H12F3NO/c1-4-5(11)2-3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3/t4-,5+,6+/m0/s1
InChIKeyXITRFAIFSAKUOU-KVQBGUIXSA-N
MW183.17 g/mol
LogP1.44
Rot. Bonds

About (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine

(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine (PubChem CID 129076819) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine
PubChem CID129076819
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine
SMILESC[C@@H]1O[C@@H](C(F)(F)F)CC[C@H]1N
InChIInChI=1S/C7H12F3NO/c1-4-5(11)2-3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3/t4-,5+,6+/m0/s1
InChIKeyXITRFAIFSAKUOU-KVQBGUIXSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine (CID 129076819) is (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine is C[C@@H]1O[C@@H](C(F)(F)F)CC[C@H]1N.
What is the InChIKey of (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine?
The InChIKey is XITRFAIFSAKUOU-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4-5(11)2-3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine?
(2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2-methyl-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 129076819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).