(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

C9H13F6N — CID 100952952

IUPAC(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1
InChIInChI=1S/C9H13F6N/c1-6(8(10,11)12)4-3-5-7(2,16-6)9(13,14)15/h16H,3-5H2,1-2H3/t6-,7+
InChIKeyVNQPQEXYGRHEOG-KNVOCYPGSA-N
MW249.20 g/mol
LogP3.40
Rot. Bonds

About (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (PubChem CID 100952952) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
PubChem CID100952952
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1
InChIInChI=1S/C9H13F6N/c1-6(8(10,11)12)4-3-5-7(2,16-6)9(13,14)15/h16H,3-5H2,1-2H3/t6-,7+
InChIKeyVNQPQEXYGRHEOG-KNVOCYPGSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,6,6-Tetramethylpiperidine
CID 13035
2,2,6,6-Tetramethylpiperidin-1-ium
CID 1550918
2,2,6-Trimethyl-6-methylpiperidine
CID 138980471
4-Fluoro-2,2,6,6-tetramethylpiperidine
CID 153803895
(3S,4S)-3-fluoro-2,2,4,6,6-pentamethylpiperidine
CID 167449899
(3R,4R)-3-fluoro-2,2,4,6,6-pentamethylpiperidine
CID 167449901
(3S)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175078581
(3R)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175086193
3-Fluoro-2,2,4,6,6-pentamethylpiperidine
CID 177202650
2,2,6-Trimethyl-6-methylpiperidin-1-ium
CID 164682827
(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 15468449
(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 15468450

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The IUPAC name of (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (CID 100952952) is (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is C[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The InChIKey is VNQPQEXYGRHEOG-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H13F6N/c1-6(8(10,11)12)4-3-5-7(2,16-6)9(13,14)15/h16H,3-5H2,1-2H3/t6-,7+.
What are the key properties of (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine has a molecular weight of 249.20 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 100952952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).