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

C9H15F2N — CID 142415656

IUPAC1-(3,3-difluorobut-1-en-2-yl)piperidine
SMILESC=C(N1CCCCC1)C(C)(F)F
InChIInChI=1S/C9H15F2N/c1-8(9(2,10)11)12-6-4-3-5-7-12/h1,3-7H2,2H3
InChIKeyYGMXFFPBDUZWBH-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.64
Rot. Bonds2

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

1-(3,3-difluorobut-1-en-2-yl)piperidine (PubChem CID 142415656) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(3,3-difluorobut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(3,3-difluorobut-1-en-2-yl)piperidine
PubChem CID142415656
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(3,3-difluorobut-1-en-2-yl)piperidine
SMILESC=C(N1CCCCC1)C(C)(F)F
InChIInChI=1S/C9H15F2N/c1-8(9(2,10)11)12-6-4-3-5-7-12/h1,3-7H2,2H3
InChIKeyYGMXFFPBDUZWBH-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 155072526
1-prop-1-en-2-ylpiperidine
CID 12570653
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
CID 131969237
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
N-methyl-1-piperidin-1-yl-N-(1-piperidin-1-ylethenyl)ethenamine
CID 90055868
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
1-[1,1,1,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-en-2-yl]pyrrolidine
CID 166661052
3-(1,1-difluoroethyl)-2-(1-piperidin-1-ylethenyl)pyridine
CID 123795289

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)piperidine?
The IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)piperidine (CID 142415656) is 1-(3,3-difluorobut-1-en-2-yl)piperidine.
What is the SMILES notation for 1-(3,3-difluorobut-1-en-2-yl)piperidine?
The canonical SMILES for 1-(3,3-difluorobut-1-en-2-yl)piperidine is C=C(N1CCCCC1)C(C)(F)F.
What is the InChIKey of 1-(3,3-difluorobut-1-en-2-yl)piperidine?
The InChIKey is YGMXFFPBDUZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-8(9(2,10)11)12-6-4-3-5-7-12/h1,3-7H2,2H3.
What are the key properties of 1-(3,3-difluorobut-1-en-2-yl)piperidine?
1-(3,3-difluorobut-1-en-2-yl)piperidine has a molecular weight of 175.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobut-1-en-2-yl)piperidine is sourced from PubChem (CID 142415656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).