(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine

C7H12F3NO — CID 175417306

IUPAC(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine
SMILESCN[C@H]1CC[C@H](C(F)(F)F)CO1
InChIInChI=1S/C7H12F3NO/c1-11-6-3-2-5(4-12-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyNUHNETBAUWBRLC-NTSWFWBYSA-N
MW183.17 g/mol
LogP1.52
Rot. Bonds1

About (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine

(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine (PubChem CID 175417306) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine.

Molecular Properties

Compound Name(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine
PubChem CID175417306
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine
SMILESCN[C@H]1CC[C@H](C(F)(F)F)CO1
InChIInChI=1S/C7H12F3NO/c1-11-6-3-2-5(4-12-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyNUHNETBAUWBRLC-NTSWFWBYSA-N
XLogP1.52
TPSA21.26 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine?
The IUPAC name of (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine (CID 175417306) is (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine.
What is the SMILES notation for (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine?
The canonical SMILES for (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine is CN[C@H]1CC[C@H](C(F)(F)F)CO1.
What is the InChIKey of (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine?
The InChIKey is NUHNETBAUWBRLC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-6-3-2-5(4-12-6)7(8,9)10/h5-6,11H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine?
(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine has a molecular weight of 183.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine is sourced from PubChem (CID 175417306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).