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

C7H12F3NO — CID 170775071

IUPAC[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
SMILESNC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKeyMLFKEYCIPORCLP-PHDIDXHHSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds1

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

[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine (PubChem CID 170775071) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
PubChem CID170775071
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
SMILESNC[C@H]1CC[C@H](C(F)(F)F)OC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6H,1-4,11H2/t5-,6-/m1/s1
InChIKeyMLFKEYCIPORCLP-PHDIDXHHSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
(4,4-Difluorooxan-3-yl)methanamine hydrochloride
CID 145867097
(4,4-Difluorooxan-3-yl)methanamine
CID 84763241
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
CID 175812793
2,2-Difluoro-1-(oxan-3-yl)ethan-1-amine
CID 80604759
3-(2,2,2-Trifluoroethyl)oxan-4-amine
CID 82407361
[4-(Trifluoromethyl)oxan-3-yl]methanamine
CID 84022631
(4-Fluorooxan-3-yl)methanamine
CID 84762369
2-(4,4-Difluorooxan-3-yl)ethan-1-amine
CID 84764908
[4-(2,2,2-Trifluoroethyl)oxan-3-yl]methanamine
CID 84774211
2,2-Difluoro-2-(oxan-3-yl)ethan-1-amine
CID 105432618
3-(3,3-Difluorooxan-4-yl)propan-1-amine
CID 105437931

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine?
The IUPAC name of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine (CID 170775071) is [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine?
The canonical SMILES for [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine is NC[C@H]1CC[C@H](C(F)(F)F)OC1.
What is the InChIKey of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine?
The InChIKey is MLFKEYCIPORCLP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6-2-1-5(3-11)4-12-6/h5-6H,1-4,11H2/t5-,6-/m1/s1.
What are the key properties of [(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine?
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 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 is sourced from PubChem (CID 170775071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).