1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine

C8H10F5N — CID 130418356

IUPAC1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine
SMILESF/C=C(/F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F5N/c9-5-7(10)14-3-1-6(2-4-14)8(11,12)13/h5-6H,1-4H2/b7-5-
InChIKeyGFNLNISTLKVFMV-ALCCZGGFSA-N
MW215.16 g/mol
LogP3.00
Rot. Bonds1

About 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine

1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine (PubChem CID 130418356) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine
PubChem CID130418356
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine
SMILESF/C=C(/F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10F5N/c9-5-7(10)14-3-1-6(2-4-14)8(11,12)13/h5-6H,1-4H2/b7-5-
InChIKeyGFNLNISTLKVFMV-ALCCZGGFSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 53.00
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-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperidine
CID 11964063
1-(2,2-Difluoroethyl)-4-(trifluoromethyl)piperidine
CID 87561360
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 118673891
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 118673893
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)piperidine
CID 121241190
1-(1,2,2-Trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
CID 121241192
4-Methyl-1-(2,2,3,3,3-pentafluoropropyl)piperidine
CID 122534021
1-[4,4,4-Trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 123139858
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 124113918
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
3,5-Bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207487

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine (CID 130418356) is 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine is F/C=C(/F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine?
The InChIKey is GFNLNISTLKVFMV-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10F5N/c9-5-7(10)14-3-1-6(2-4-14)8(11,12)13/h5-6H,1-4H2/b7-5-.
What are the key properties of 1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine?
1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine has a molecular weight of 215.16 g/mol, XLogP of 3.00, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130418356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).