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

C6H3F10N — CID 58623025

IUPAC1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine
SMILESCC1(F)N(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10N/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)17(2)16/h1H3
InChIKeyPHIWMPZSJJRYJN-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.37
Rot. Bonds

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

1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine (PubChem CID 58623025) has the molecular formula C6H3F10N and a molecular weight of 279.08 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine
PubChem CID58623025
Molecular FormulaC6H3F10N
Molecular Weight279.08 g/mol
Exact Mass279.01
IUPAC Name1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine
SMILESCC1(F)N(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H3F10N/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)17(2)16/h1H3
InChIKeyPHIWMPZSJJRYJN-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,4,4,5,6,6-decafluoro-5-methylpiperidine
CID 170201591
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methylpiperidine
CID 12597073
1,2,2,3,3,4,4,5,6,6-decafluoro-5-(trifluoromethyl)piperidine
CID 15529013
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
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
(4aR,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-methylnaphthalene
CID 98117240
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8a,9,9,10,10,10a-tricosafluoro-8-methylphenanthrene
CID 59941574
1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylcyclohexan-1-ol
CID 162567259
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
CID 2776242
1,3,3,4,4,5,5-heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
CID 10907000

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine (CID 58623025) is 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine is CC1(F)N(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine?
The InChIKey is PHIWMPZSJJRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10N/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)17(2)16/h1H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine?
1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine has a molecular weight of 279.08 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6-decafluoro-6-methylpiperidine is sourced from PubChem (CID 58623025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).