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

C12H13F10N — CID 18538151

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine
SMILESCC1(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CCCCC1
InChIInChI=1S/C12H13F10N/c1-7(5-3-2-4-6-7)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h2-6H2,1H3
InChIKeyYQSJBOCQJFSTHL-UHFFFAOYSA-N
MW361.22 g/mol
LogP5.12
Rot. Bonds1

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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine (PubChem CID 18538151) 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-(1-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine
PubChem CID18538151
Molecular FormulaC12H13F10N
Molecular Weight361.22 g/mol
Exact Mass361.09
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine
SMILESCC1(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CCCCC1
InChIInChI=1S/C12H13F10N/c1-7(5-3-2-4-6-7)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h2-6H2,1H3
InChIKeyYQSJBOCQJFSTHL-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.22
LogP ≤ 55.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine (CID 18538151) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine is CC1(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)CCCCC1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine?
The InChIKey is YQSJBOCQJFSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F10N/c1-7(5-3-2-4-6-7)23-11(19,20)9(15,16)8(13,14)10(17,18)12(23,21)22/h2-6H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1-methylcyclohexyl)piperidine has a molecular weight of 361.22 g/mol, XLogP of 5.12, 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-(1-methylcyclohexyl)piperidine is sourced from PubChem (CID 18538151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).