(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

C9H7F12N — CID 15468449

IUPAC(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@@]1(C(F)(F)F)N[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F12N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,22-3)9(19,20)21/h22H,1-2H3/t3-,4+
InChIKeyCXVQBZIFWSJGQL-ZXZARUISSA-N
MW357.14 g/mol
LogP4.14
Rot. Bonds

About (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (PubChem CID 15468449) has the molecular formula C9H7F12N and a molecular weight of 357.14 g/mol. Its IUPAC name is (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
PubChem CID15468449
Molecular FormulaC9H7F12N
Molecular Weight357.14 g/mol
Exact Mass357.04
IUPAC Name(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@@]1(C(F)(F)F)N[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F12N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,22-3)9(19,20)21/h22H,1-2H3/t3-,4+
InChIKeyCXVQBZIFWSJGQL-ZXZARUISSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-2,2,6,6-tetramethylpiperidine
CID 153803895
(3S)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175078581
(3R)-3-fluoro-2,2,6,6-tetramethylpiperidine
CID 175086193
(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 15468450
(2R,6S)-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 100952952
(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 100952954
1,3,3,4,4,5,5-Heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 101034479
4,4-Difluoro-2,2,6,6-tetramethylpiperidine
CID 125492279
3-Fluoro-2,2,6,6-tetramethylpiperidine
CID 153382728
2,2,6,6-Tetramethyl-4,4-bis(2,2,2-trifluoroethyl)piperidine
CID 161889136
4,4-Difluoro-2,2,6,6-tetramethylpiperidine;hydrochloride
CID 163333329
2,2,6,6-Tetramethylpiperidin-1-ium tetrafluoroborate
CID 173716759

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The IUPAC name of (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (CID 15468449) is (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The canonical SMILES for (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is C[C@@]1(C(F)(F)F)N[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The InChIKey is CXVQBZIFWSJGQL-ZXZARUISSA-N. The full InChI is InChI=1S/C9H7F12N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,22-3)9(19,20)21/h22H,1-2H3/t3-,4+.
What are the key properties of (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine has a molecular weight of 357.14 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 15468449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).