1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine

C9H9F8N — CID 118673893

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H9F8N/c10-6(9(15,16)17)7(11)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2/b7-6-
InChIKeyDEQHVXOOOSVKIG-SREVYHEPSA-N
MW283.16 g/mol
LogP3.93
Rot. Bonds1

About 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine (PubChem CID 118673893) has the molecular formula C9H9F8N and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
PubChem CID118673893
Molecular FormulaC9H9F8N
Molecular Weight283.16 g/mol
Exact Mass283.06
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
SMILESF/C(=C(/F)C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H9F8N/c10-6(9(15,16)17)7(11)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2/b7-6-
InChIKeyDEQHVXOOOSVKIG-SREVYHEPSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.93
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
4-Methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 23381153
1-Ethyl-4-(trifluoromethyl)piperidine
CID 54499391
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methylpiperidine
CID 58787223
1-Methyl-4-(2,2,3,3,3-pentafluoropropyl)piperidine
CID 59648812
1-(2,2-Difluoroethyl)-4-methylpiperidine
CID 59733497
1-(2,2-Difluoroethyl)-4-(trifluoromethyl)piperidine
CID 87561360
2,2,3,3,4,5,5,6,6-Nonafluoro-4-methyl-1-propylpiperidine
CID 87570609
4-(Difluoromethyl)-1-ethylpiperidine
CID 88997845
1-Ethyl-3,3-difluoro-4-methylpiperidine
CID 89616504

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine (CID 118673893) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine is F/C(=C(/F)C(F)(F)F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The InChIKey is DEQHVXOOOSVKIG-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9F8N/c10-6(9(15,16)17)7(11)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2/b7-6-.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine has a molecular weight of 283.16 g/mol, XLogP of 3.93, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 118673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).