1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine

C8H12F3N — CID 155072526

IUPAC1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
SMILESC=C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-7(8(9,10)11)12-5-3-2-4-6-12/h1-6H2
InChIKeyDGCAAWZOBHAWPP-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.55
Rot. Bonds1

About 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine

1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine (PubChem CID 155072526) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
PubChem CID155072526
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
SMILESC=C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-7(8(9,10)11)12-5-3-2-4-6-12/h1-6H2
InChIKeyDGCAAWZOBHAWPP-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorobut-1-en-2-yl)piperidine
CID 142415656
1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
1-prop-1-en-2-ylpiperidine
CID 12570653
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
1-[(E)-1,1,1,2,4,4,5,5,5-nonafluoropent-2-en-3-yl]azepane
CID 147789534
2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
CID 3095784
2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine
CID 12864060
1,5-bis(azepan-1-yl)-2,2,3,3,4,4-hexafluoropentane-1,5-dione
CID 5093018
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3572182
8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 178037909

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine (CID 155072526) is 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine is C=C(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
The InChIKey is DGCAAWZOBHAWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-7(8(9,10)11)12-5-3-2-4-6-12/h1-6H2.
What are the key properties of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine?
1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine has a molecular weight of 179.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine is sourced from PubChem (CID 155072526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).