1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine

C9F19N — CID 10907000

IUPAC1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
SMILESFN1C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F19N/c10-3(11)1(6(16,17)18,7(19,20)21)29(28)2(8(22,23)24,9(25,26)27)4(12,13)5(3,14)15
InChIKeyXSTUCGVNCKUIJQ-UHFFFAOYSA-N
MW483.07 g/mol
LogP5.82
Rot. Bonds

About 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine

1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine (PubChem CID 10907000) has the molecular formula C9F19N and a molecular weight of 483.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
PubChem CID10907000
Molecular FormulaC9F19N
Molecular Weight483.07 g/mol
Exact Mass482.97
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
SMILESFN1C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F19N/c10-3(11)1(6(16,17)18,7(19,20)21)29(28)2(8(22,23)24,9(25,26)27)4(12,13)5(3,14)15
InChIKeyXSTUCGVNCKUIJQ-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.07
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluoro-p-propyl-2-methyl-piperidine
CID 129780411
1-[1,1,1,2,3,3,4,5,5,5-Decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine
CID 139790263
(2S,6R)-1,3,3,4,4,5,5-heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 15468450
(2S,6R)-1-fluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 100952954
1,3,3,4,4,5,5-Heptafluoro-2,6-dimethyl-2,6-bis(trifluoromethyl)piperidine
CID 101034479

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine (CID 10907000) is 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine is FN1C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine?
The InChIKey is XSTUCGVNCKUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F19N/c10-3(11)1(6(16,17)18,7(19,20)21)29(28)2(8(22,23)24,9(25,26)27)4(12,13)5(3,14)15.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine?
1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine has a molecular weight of 483.07 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine is sourced from PubChem (CID 10907000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).