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

C7H9F6N — CID 96551753

IUPAC(2R,6R)-2,6-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H9F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h4-5,14H,1-3H2/t4-,5-/m1/s1
InChIKeyAPPHZZVNZFLFTE-RFZPGFLSSA-N
MW221.14 g/mol
LogP2.62
Rot. Bonds

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

(2R,6R)-2,6-bis(trifluoromethyl)piperidine (PubChem CID 96551753) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is (2R,6R)-2,6-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,6R)-2,6-bis(trifluoromethyl)piperidine
PubChem CID96551753
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name(2R,6R)-2,6-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)[C@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H9F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h4-5,14H,1-3H2/t4-,5-/m1/s1
InChIKeyAPPHZZVNZFLFTE-RFZPGFLSSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6R)-2-methyl-6-(trifluoromethyl)piperidine
CID 95366768
2-cycloheptyl-6-(trifluoromethyl)piperidine
CID 106781025
2-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)piperidine
CID 106779737
2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride
CID 119031618
2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine
CID 106778866
2-(2-ethylhexyl)-6-(trifluoromethyl)piperidine
CID 106777958
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
1-deuterio-2-(trifluoromethyl)pyrrolidine
CID 175824966
(2S)-2-(trifluoromethyl)azepane
CID 52810921
6-(trifluoromethyl)piperidin-2-one
CID 57367082
[(2R,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]methanamine
CID 95396558
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-bis(trifluoromethyl)piperidine?
The IUPAC name of (2R,6R)-2,6-bis(trifluoromethyl)piperidine (CID 96551753) is (2R,6R)-2,6-bis(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,6R)-2,6-bis(trifluoromethyl)piperidine?
The canonical SMILES for (2R,6R)-2,6-bis(trifluoromethyl)piperidine is FC(F)(F)[C@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of (2R,6R)-2,6-bis(trifluoromethyl)piperidine?
The InChIKey is APPHZZVNZFLFTE-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H9F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h4-5,14H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (2R,6R)-2,6-bis(trifluoromethyl)piperidine?
(2R,6R)-2,6-bis(trifluoromethyl)piperidine has a molecular weight of 221.14 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 96551753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).