2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine

C6H3F10N — CID 12597073

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
SMILESCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10N/c1-17-5(13,14)3(9,10)2(7,8)4(11,12)6(17,15)16/h1H3
InChIKeyOADBCLMXSCPKGX-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.02
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine (PubChem CID 12597073) has the molecular formula C6H3F10N and a molecular weight of 279.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
PubChem CID12597073
Molecular FormulaC6H3F10N
Molecular Weight279.08 g/mol
Exact Mass279.01
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
SMILESCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10N/c1-17-5(13,14)3(9,10)2(7,8)4(11,12)6(17,15)16/h1H3
InChIKeyOADBCLMXSCPKGX-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.02
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-methylpiperidine 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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine
CID 58623025
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
CID 2776242
1,2,2,3,3,4,4,5,6,6-decafluoro-5-methylpiperidine
CID 170201591
2,2,4,4,5,5-hexafluoro-1-methylimidazolidine
CID 150361429
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,1,2,2,3-pentafluoropropyl)piperazine
CID 130266565
1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 4541334
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 158548980
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 57277549

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine (CID 12597073) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine is CN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine?
The InChIKey is OADBCLMXSCPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10N/c1-17-5(13,14)3(9,10)2(7,8)4(11,12)6(17,15)16/h1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine has a molecular weight of 279.08 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine is sourced from PubChem (CID 12597073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).