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

C9H9F8N — CID 130418355

IUPAC1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C=C(/F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H9F8N/c10-2-7(11)18-3-5(8(12,13)14)1-6(4-18)9(15,16)17/h2,5-6H,1,3-4H2/b7-2-
InChIKeySIARKIAYHDWGMR-UQCOIBPSSA-N
MW283.16 g/mol
LogP3.79
Rot. Bonds1

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

1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130418355) has the molecular formula C9H9F8N and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130418355
Molecular FormulaC9H9F8N
Molecular Weight283.16 g/mol
Exact Mass283.06
IUPAC Name1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C=C(/F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C9H9F8N/c10-2-7(11)18-3-5(8(12,13)14)1-6(4-18)9(15,16)17/h2,5-6H,1,3-4H2/b7-2-
InChIKeySIARKIAYHDWGMR-UQCOIBPSSA-N
XLogP3.79
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 ≤ 53.79
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 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine (CID 130418355) is 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine is F/C=C(/F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is SIARKIAYHDWGMR-UQCOIBPSSA-N. The full InChI is InChI=1S/C9H9F8N/c10-2-7(11)18-3-5(8(12,13)14)1-6(4-18)9(15,16)17/h2,5-6H,1,3-4H2/b7-2-.
What are the key properties of 1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine?
1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 283.16 g/mol, XLogP of 3.79, 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-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130418355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).