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

C7F15N — CID 14595605

IUPAC2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F15N/c8-1(4(13,14)15)2(9,10)3(11,12)6(18,19)23(5(1,16)17)7(20,21)22
InChIKeyGUCBCVUEVNIHJG-UHFFFAOYSA-N
MW383.05 g/mol
LogP4.55
Rot. Bonds

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

2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine (PubChem CID 14595605) has the molecular formula C7F15N and a molecular weight of 383.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine
PubChem CID14595605
Molecular FormulaC7F15N
Molecular Weight383.05 g/mol
Exact Mass382.98
IUPAC Name2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F15N/c8-1(4(13,14)15)2(9,10)3(11,12)6(18,19)23(5(1,16)17)7(20,21)22
InChIKeyGUCBCVUEVNIHJG-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.05
LogP ≤ 54.55
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 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine (CID 14595605) is 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine is FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine?
The InChIKey is GUCBCVUEVNIHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F15N/c8-1(4(13,14)15)2(9,10)3(11,12)6(18,19)23(5(1,16)17)7(20,21)22.
What are the key properties of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine?
2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine has a molecular weight of 383.05 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 14595605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).