5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine

C13H19F6N — CID 5231212

IUPAC5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine
SMILESFC(F)(F)C1CCC(C2CCCC(C(F)(F)F)C2)NC1
InChIInChI=1S/C13H19F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h8-11,20H,1-7H2
InChIKeyMXHHIKHZWVQMMX-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.29
Rot. Bonds1

About 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine

5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine (PubChem CID 5231212) has the molecular formula C13H19F6N and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine
PubChem CID5231212
Molecular FormulaC13H19F6N
Molecular Weight303.29 g/mol
Exact Mass303.14
IUPAC Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine
SMILESFC(F)(F)C1CCC(C2CCCC(C(F)(F)F)C2)NC1
InChIInChI=1S/C13H19F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h8-11,20H,1-7H2
InChIKeyMXHHIKHZWVQMMX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethylcyclohexyl)-5-(trifluoromethyl)piperidine
CID 106779706
1-methyl-3-[3-(trifluoromethyl)cyclohexyl]cyclohexane
CID 154518401
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 43185318
1-(trifluoromethyl)-2-[5-(trifluoromethyl)piperidin-2-yl]-3-azabicyclo[3.1.0]hexane
CID 155262827
1-cyclopentyl-4-(trifluoromethyl)cyclohexane
CID 70984825
6-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-3-carbaldehyde
CID 170906556
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908901
2-methoxy-5-(trifluoromethyl)piperidine
CID 153178621
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
8-(trifluoromethyl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]thiazepine 1-oxide
CID 66217783
1-propyl-3-(trifluoromethyl)cyclohexane
CID 142650129

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine?
The IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine (CID 5231212) is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine is FC(F)(F)C1CCC(C2CCCC(C(F)(F)F)C2)NC1.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine?
The InChIKey is MXHHIKHZWVQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6N/c14-12(15,16)9-3-1-2-8(6-9)11-5-4-10(7-20-11)13(17,18)19/h8-11,20H,1-7H2.
What are the key properties of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine?
5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine has a molecular weight of 303.29 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine is sourced from PubChem (CID 5231212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).