2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine

C12H13F10N — CID 22501126

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C12H13F10N/c1-6-2-4-7(5-3-6)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h6-7H,2-5H2,1H3
InChIKeyHALWJNURDVBGTM-UHFFFAOYSA-N
MW361.22 g/mol
LogP4.97
Rot. Bonds1

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine (PubChem CID 22501126) has the molecular formula C12H13F10N and a molecular weight of 361.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine
PubChem CID22501126
Molecular FormulaC12H13F10N
Molecular Weight361.22 g/mol
Exact Mass361.09
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C12H13F10N/c1-6-2-4-7(5-3-6)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h6-7H,2-5H2,1H3
InChIKeyHALWJNURDVBGTM-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine with MolForge

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Related Compounds

4-Methylcyclohexylpiperidine
CID 13184332
2,2,3,3,4,4,5-Heptafluoro-5-methyl-1-(4-methylcyclohexyl)pyrrolidine
CID 18538152
4-Butyl-1-(4-fluorocyclohexyl)piperidine
CID 20268602
1-(4-Fluorocyclohexyl)-4-propylpiperidine
CID 20268636
1-Methyl-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]piperazine
CID 58235978
4-Fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58395110
4,4-Difluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58395152
1-(4-Tert-butylcyclohexyl)-4,4-difluoropiperidine
CID 58395236
4,4-Difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
1-(4,4-Difluorocyclohexyl)-4-propan-2-ylpiperidine
CID 58395452
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methylpiperidine
CID 58787223

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine (CID 22501126) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine is CC1CCC(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine?
The InChIKey is HALWJNURDVBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F10N/c1-6-2-4-7(5-3-6)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h6-7H,2-5H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine has a molecular weight of 361.22 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(4-methylcyclohexyl)piperidine is sourced from PubChem (CID 22501126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).