(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

C9H6F13N — CID 15468450

IUPAC(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@@]1(C(F)(F)F)N(F)[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F13N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,23(3)22)9(19,20)21/h1-2H3/t3-,4+
InChIKeyZWSCTVZSBDCFPY-ZXZARUISSA-N
MW375.13 g/mol
LogP4.73
Rot. Bonds

About (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (PubChem CID 15468450) has the molecular formula C9H6F13N and a molecular weight of 375.13 g/mol. Its IUPAC name is (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
PubChem CID15468450
Molecular FormulaC9H6F13N
Molecular Weight375.13 g/mol
Exact Mass375.03
IUPAC Name(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@@]1(C(F)(F)F)N(F)[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F13N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,23(3)22)9(19,20)21/h1-2H3/t3-,4+
InChIKeyZWSCTVZSBDCFPY-ZXZARUISSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-Tetramethyl-1-(trifluoromethyl)piperidine
CID 15105668
4-Butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine
CID 87853779
1,3,3,4,4,5,5-Heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
CID 10907000
(2S,6R)-3,3,4,4,5,5-hexafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 15468449
(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

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The IUPAC name of (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (CID 15468450) is (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The canonical SMILES for (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is C[C@@]1(C(F)(F)F)N(F)[C@](C)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The InChIKey is ZWSCTVZSBDCFPY-ZXZARUISSA-N. The full InChI is InChI=1S/C9H6F13N/c1-3(8(16,17)18)5(10,11)7(14,15)6(12,13)4(2,23(3)22)9(19,20)21/h1-2H3/t3-,4+.
What are the key properties of (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine has a molecular weight of 375.13 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 15468450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).