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

C10H8F11N — CID 118673891

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H8F11N/c11-6(10(19,20)21)7(12)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2/b7-6-
InChIKeyCGAQELFAMNGIDC-SREVYHEPSA-N
MW351.16 g/mol
LogP4.72
Rot. Bonds1

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

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 118673891) has the molecular formula C10H8F11N and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID118673891
Molecular FormulaC10H8F11N
Molecular Weight351.16 g/mol
Exact Mass351.05
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H8F11N/c11-6(10(19,20)21)7(12)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2/b7-6-
InChIKeyCGAQELFAMNGIDC-SREVYHEPSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.72
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-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperidine
CID 145231112
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
CID 13864933
2,2,3,3,4,4,5,6,6-Nonafluoro-5-methyl-1-propylpiperidine
CID 22253782
(3S)-1-(2,2-difluoroethyl)-3-methylpiperidine
CID 57640120
1-Methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine
CID 59648812
1-(2,2-Difluoroethyl)-3-methylpiperidine
CID 76573077
(3R)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 87057953
1-(2,2-Difluoroethyl)-4-(trifluoromethyl)piperidine
CID 87561360
(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 88915935
1-Ethyl-3-(trifluoromethyl)piperidine
CID 89112828
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 89877204

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine (CID 118673891) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine is F/C(=C(/F)C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is CGAQELFAMNGIDC-SREVYHEPSA-N. The full InChI is InChI=1S/C10H8F11N/c11-6(10(19,20)21)7(12)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2/b7-6-.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 351.16 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 118673891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).