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

C8H8F7N — CID 130208623

IUPAC3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(F)CC(F)C1
InChIInChI=1S/C8H8F7N/c9-4-1-5(10)3-16(2-4)7(12)6(11)8(13,14)15/h4-5H,1-3H2/b7-6-
InChIKeyVTNDOSFABFNNKE-SREVYHEPSA-N
MW251.14 g/mol
LogP3.04
Rot. Bonds1

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

3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine (PubChem CID 130208623) has the molecular formula C8H8F7N and a molecular weight of 251.14 g/mol. Its IUPAC name is 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine.

Molecular Properties

Compound Name3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
PubChem CID130208623
Molecular FormulaC8H8F7N
Molecular Weight251.14 g/mol
Exact Mass251.05
IUPAC Name3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(F)CC(F)C1
InChIInChI=1S/C8H8F7N/c9-4-1-5(10)3-16(2-4)7(12)6(11)8(13,14)15/h4-5H,1-3H2/b7-6-
InChIKeyVTNDOSFABFNNKE-SREVYHEPSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 53.04
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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Related Compounds

1-(2,2,3,3,3-Pentafluoropropyl)piperidine
CID 10976891
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
1-(2,2,3,3-Tetrafluoropropyl)piperidine
CID 12554035
1-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
1-(3,3-Difluoroprop-2-enyl)piperidine
CID 177852845
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperidine
CID 145231112
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperidine
CID 11964063
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
CID 13864933
1-(2,2,3,4,4,4-Hexafluorobutyl)piperidine
CID 17997710
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-pentylpiperidine
CID 19783528
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-hexylpiperidine
CID 19783532

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The IUPAC name of 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine (CID 130208623) is 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine.
What is the SMILES notation for 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The canonical SMILES for 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine is F/C(=C(/F)C(F)(F)F)N1CC(F)CC(F)C1.
What is the InChIKey of 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
The InChIKey is VTNDOSFABFNNKE-SREVYHEPSA-N. The full InChI is InChI=1S/C8H8F7N/c9-4-1-5(10)3-16(2-4)7(12)6(11)8(13,14)15/h4-5H,1-3H2/b7-6-.
What are the key properties of 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine?
3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine has a molecular weight of 251.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine is sourced from PubChem (CID 130208623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).