2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine

C12H11F12N — CID 23077287

IUPAC2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCC1
InChIInChI=1S/C12H11F12N/c13-7(6-4-2-1-3-5-6)8(14,15)9(16,17)10(18,19)11(20,21)25(7)12(22,23)24/h6H,1-5H2
InChIKeyBQWBPKFAABSYJO-UHFFFAOYSA-N
MW397.20 g/mol
LogP5.57
Rot. Bonds1

About 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine

2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine (PubChem CID 23077287) has the molecular formula C12H11F12N and a molecular weight of 397.20 g/mol. Its IUPAC name is 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine
PubChem CID23077287
Molecular FormulaC12H11F12N
Molecular Weight397.20 g/mol
Exact Mass397.07
IUPAC Name2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCC1
InChIInChI=1S/C12H11F12N/c13-7(6-4-2-1-3-5-6)8(14,15)9(16,17)10(18,19)11(20,21)25(7)12(22,23)24/h6H,1-5H2
InChIKeyBQWBPKFAABSYJO-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.20
LogP ≤ 55.57
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-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine?
The IUPAC name of 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine (CID 23077287) is 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine?
The canonical SMILES for 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine is FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine?
The InChIKey is BQWBPKFAABSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F12N/c13-7(6-4-2-1-3-5-6)8(14,15)9(16,17)10(18,19)11(20,21)25(7)12(22,23)24/h6H,1-5H2.
What are the key properties of 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine?
2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine has a molecular weight of 397.20 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,3,3,4,4,5,5,6,6-nonafluoro-1-(trifluoromethyl)piperidine is sourced from PubChem (CID 23077287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).