3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine

C10H14F5N — CID 134302744

IUPAC3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
SMILESCC1CC(C)CN(/C(F)=C(\F)C(F)(F)F)C1
InChIInChI=1S/C10H14F5N/c1-6-3-7(2)5-16(4-6)9(12)8(11)10(13,14)15/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyDGTHQBXMCVACKN-HJWRWDBZSA-N
MW243.22 g/mol
LogP3.63
Rot. Bonds1

About 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine

3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine (PubChem CID 134302744) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
PubChem CID134302744
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
SMILESCC1CC(C)CN(/C(F)=C(\F)C(F)(F)F)C1
InChIInChI=1S/C10H14F5N/c1-6-3-7(2)5-16(4-6)9(12)8(11)10(13,14)15/h6-7H,3-5H2,1-2H3/b9-8-
InChIKeyDGTHQBXMCVACKN-HJWRWDBZSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine (CID 134302744) is 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine is CC1CC(C)CN(/C(F)=C(\F)C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The InChIKey is DGTHQBXMCVACKN-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H14F5N/c1-6-3-7(2)5-16(4-6)9(12)8(11)10(13,14)15/h6-7H,3-5H2,1-2H3/b9-8-.
What are the key properties of 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine has a molecular weight of 243.22 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine is sourced from PubChem (CID 134302744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).