2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine

C9H10F9N — CID 22253782

IUPAC2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine
SMILESCCCN1C(F)(F)C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F9N/c1-3-4-19-8(15,16)5(2,10)6(11,12)7(13,14)9(19,17)18/h3-4H2,1-2H3
InChIKeyISHZCDGZUXXTAK-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.90
Rot. Bonds2

About 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine

2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine (PubChem CID 22253782) has the molecular formula C9H10F9N and a molecular weight of 303.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine
PubChem CID22253782
Molecular FormulaC9H10F9N
Molecular Weight303.17 g/mol
Exact Mass303.07
IUPAC Name2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine
SMILESCCCN1C(F)(F)C(C)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F9N/c1-3-4-19-8(15,16)5(2,10)6(11,12)7(13,14)9(19,17)18/h3-4H2,1-2H3
InChIKeyISHZCDGZUXXTAK-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.90
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 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine?
The IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine (CID 22253782) is 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine?
The canonical SMILES for 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine is CCCN1C(F)(F)C(C)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine?
The InChIKey is ISHZCDGZUXXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9N/c1-3-4-19-8(15,16)5(2,10)6(11,12)7(13,14)9(19,17)18/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine?
2,2,3,3,4,4,5,6,6-nonafluoro-5-methyl-1-propylpiperidine has a molecular weight of 303.17 g/mol, XLogP of 3.90, 2 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-5-methyl-1-propylpiperidine is sourced from PubChem (CID 22253782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).