(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

C9H12F7N — CID 100952954

IUPAC(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1F
InChIInChI=1S/C9H12F7N/c1-6(8(10,11)12)4-3-5-7(2,17(6)16)9(13,14)15/h3-5H2,1-2H3/t6-,7+
InChIKeyTUHOYOQSJNTWCI-KNVOCYPGSA-N
MW267.19 g/mol
LogP4.00
Rot. Bonds

About (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine

(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (PubChem CID 100952954) has the molecular formula C9H12F7N and a molecular weight of 267.19 g/mol. Its IUPAC name is (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
PubChem CID100952954
Molecular FormulaC9H12F7N
Molecular Weight267.19 g/mol
Exact Mass267.09
IUPAC Name(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
SMILESC[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1F
InChIInChI=1S/C9H12F7N/c1-6(8(10,11)12)4-3-5-7(2,17(6)16)9(13,14)15/h3-5H2,1-2H3/t6-,7+
InChIKeyTUHOYOQSJNTWCI-KNVOCYPGSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-2,2,6,6-tetramethylpiperidine
CID 13779928
2,2,6,6-Tetramethyl-1-(trifluoromethyl)piperidine
CID 15105668
2,2,6,6-Tetramethyl-1-(trifluoromethylsulfanyl)piperidine
CID 101895379
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1-methylcyclohexyl)piperidine
CID 18538151
4-Butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine
CID 87853779
2,2,6,6-Tetramethyl-1-(1,2,2-trifluoroethenyl)piperidine
CID 177223408
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
(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
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-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The IUPAC name of (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine (CID 100952954) is (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine.
What is the SMILES notation for (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The canonical SMILES for (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is C[C@]1(C(F)(F)F)CCC[C@@](C)(C(F)(F)F)N1F.
What is the InChIKey of (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
The InChIKey is TUHOYOQSJNTWCI-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H12F7N/c1-6(8(10,11)12)4-3-5-7(2,17(6)16)9(13,14)15/h3-5H2,1-2H3/t6-,7+.
What are the key properties of (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine?
(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine has a molecular weight of 267.19 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 100952954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).