1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine

C9H9F10N — CID 19783538

IUPAC1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
SMILESCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10N/c1-2-3-4-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3
InChIKeySUUZMCVCFBJQHR-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.19
Rot. Bonds3

About 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine

1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine (PubChem CID 19783538) has the molecular formula C9H9F10N and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine.

Molecular Properties

Compound Name1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
PubChem CID19783538
Molecular FormulaC9H9F10N
Molecular Weight321.16 g/mol
Exact Mass321.06
IUPAC Name1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
SMILESCCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10N/c1-2-3-4-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3
InChIKeySUUZMCVCFBJQHR-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.19
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 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The IUPAC name of 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine (CID 19783538) is 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine.
What is the SMILES notation for 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The canonical SMILES for 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine is CCCCN1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
The InChIKey is SUUZMCVCFBJQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10N/c1-2-3-4-20-8(16,17)6(12,13)5(10,11)7(14,15)9(20,18)19/h2-4H2,1H3.
What are the key properties of 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine?
1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine has a molecular weight of 321.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine is sourced from PubChem (CID 19783538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).