[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine

C7H13F2NO — CID 170914889

IUPAC[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](C(F)F)CO1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-1-2-6(3-10)11-4-5/h5-7H,1-4,10H2/t5-,6+/m1/s1
InChIKeyFDHSDGVRIVWMTK-RITPCOANSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine

[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine (PubChem CID 170914889) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine
PubChem CID170914889
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine
SMILESNC[C@@H]1CC[C@@H](C(F)F)CO1
InChIInChI=1S/C7H13F2NO/c8-7(9)5-1-2-6(3-10)11-4-5/h5-7H,1-4,10H2/t5-,6+/m1/s1
InChIKeyFDHSDGVRIVWMTK-RITPCOANSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(Trifluoromethyl)oxan-2-yl]methanamine hydrochloride
CID 132313510
1-(5,5-Difluorooxan-2-yl)methanamine hydrochloride
CID 132351215
rac-[(2R,5S)-5-methyloxan-2-yl]methanamine hydrochloride
CID 139026481
(3R,6S)-6-(trifluoromethyl)oxan-3-amine
CID 117688953
[(2R,4S)-4-(trifluoromethyl)oxolan-2-yl]methanamine
CID 125455127
2,5-Dimethyl-6-(trifluoromethyl)oxan-3-amine
CID 129076842
6-(Trifluoromethyl)tetrahydro-2H-pyran-3-amine
CID 144979063
5-Methyl-6-(trifluoromethyl)oxan-3-amine
CID 144979123
1-(3-Fluorooxan-2-yl)methanamine
CID 165664637
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
CID 170775071
(5,5-Difluoro-6-methyloxan-2-yl)methanamine
CID 171530965
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
CID 175812793

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine?
The IUPAC name of [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine (CID 170914889) is [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine.
What is the SMILES notation for [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine?
The canonical SMILES for [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine is NC[C@@H]1CC[C@@H](C(F)F)CO1.
What is the InChIKey of [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine?
The InChIKey is FDHSDGVRIVWMTK-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)5-1-2-6(3-10)11-4-5/h5-7H,1-4,10H2/t5-,6+/m1/s1.
What are the key properties of [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine?
[(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(difluoromethyl)oxan-2-yl]methanamine is sourced from PubChem (CID 170914889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).