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

C9H9F10N — CID 87853779

IUPAC4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine
SMILESCCCCC1(F)C(F)(F)C(F)(F)N(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10N/c1-2-3-4-5(10)6(11,12)8(15,16)20(19)9(17,18)7(5,13)14/h2-4H2,1H3
InChIKeyMCZGDUZJXZGIJI-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.54
Rot. Bonds3

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

4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine (PubChem CID 87853779) has the molecular formula C9H9F10N and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine.

Molecular Properties

Compound Name4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine
PubChem CID87853779
Molecular FormulaC9H9F10N
Molecular Weight321.16 g/mol
Exact Mass321.06
IUPAC Name4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine
SMILESCCCCC1(F)C(F)(F)C(F)(F)N(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F10N/c1-2-3-4-5(10)6(11,12)8(15,16)20(19)9(17,18)7(5,13)14/h2-4H2,1H3
InChIKeyMCZGDUZJXZGIJI-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine?
The IUPAC name of 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine (CID 87853779) is 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine.
What is the SMILES notation for 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine?
The canonical SMILES for 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine is CCCCC1(F)C(F)(F)C(F)(F)N(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine?
The InChIKey is MCZGDUZJXZGIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10N/c1-2-3-4-5(10)6(11,12)8(15,16)20(19)9(17,18)7(5,13)14/h2-4H2,1H3.
What are the key properties of 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine?
4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine has a molecular weight of 321.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2,2,3,3,4,5,5,6,6-decafluoropiperidine is sourced from PubChem (CID 87853779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).