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

C9H12F5N — CID 129207488

IUPAC1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine
SMILESC=C(F)C(F)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H12F5N/c1-7(10)8(11,9(12,13)14)15-5-3-2-4-6-15/h1-6H2
InChIKeyOJTCNJBEWPJVSC-UHFFFAOYSA-N
MW229.19 g/mol
LogP3.18
Rot. Bonds2

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

1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine (PubChem CID 129207488) has the molecular formula C9H12F5N and a molecular weight of 229.19 g/mol. Its IUPAC name is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine
PubChem CID129207488
Molecular FormulaC9H12F5N
Molecular Weight229.19 g/mol
Exact Mass229.09
IUPAC Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine
SMILESC=C(F)C(F)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H12F5N/c1-7(10)8(11,9(12,13)14)15-5-3-2-4-6-15/h1-6H2
InChIKeyOJTCNJBEWPJVSC-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 53.18
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-(3,3-Difluoroprop-2-enyl)piperidine
CID 177852845
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)piperidine
CID 67894316
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118193
1-(1,2,2-Trifluorobut-3-enyl)piperidine
CID 124118194
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
CID 129207489
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207490
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-(1,1,2-Trifluoroprop-2-enyl)piperidine
CID 129207504
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)piperidine
CID 129207762
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
CID 129207799

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine?
The IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine (CID 129207488) is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine.
What is the SMILES notation for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine?
The canonical SMILES for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine is C=C(F)C(F)(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine?
The InChIKey is OJTCNJBEWPJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5N/c1-7(10)8(11,9(12,13)14)15-5-3-2-4-6-15/h1-6H2.
What are the key properties of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine?
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine has a molecular weight of 229.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperidine is sourced from PubChem (CID 129207488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).