2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine

C8HF14N — CID 121361209

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine
SMILESF/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)F
InChIInChI=1S/C8HF14N/c9-1(2(10)11)3(12)23-7(19,20)5(15,16)4(13,14)6(17,18)8(23,21)22/h2H/b3-1-
InChIKeyRJRHXEFPNUGAMK-IWQZZHSRSA-N
MW377.08 g/mol
LogP4.77
Rot. Bonds2

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine (PubChem CID 121361209) has the molecular formula C8HF14N and a molecular weight of 377.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine
PubChem CID121361209
Molecular FormulaC8HF14N
Molecular Weight377.08 g/mol
Exact Mass376.99
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine
SMILESF/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)F
InChIInChI=1S/C8HF14N/c9-1(2(10)11)3(12)23-7(19,20)5(15,16)4(13,14)6(17,18)8(23,21)22/h2H/b3-1-
InChIKeyRJRHXEFPNUGAMK-IWQZZHSRSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 54.77
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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Related Compounds

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CID 135262212
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
CID 2776242
2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine (CID 121361209) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine is F/C(=C(/F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine?
The InChIKey is RJRHXEFPNUGAMK-IWQZZHSRSA-N. The full InChI is InChI=1S/C8HF14N/c9-1(2(10)11)3(12)23-7(19,20)5(15,16)4(13,14)6(17,18)8(23,21)22/h2H/b3-1-.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine has a molecular weight of 377.08 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-[(E)-1,2,3,3-tetrafluoroprop-1-enyl]piperidine is sourced from PubChem (CID 121361209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).