1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine

C9H10F7N — CID 129271744

IUPAC1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine
SMILESFC(F)=C(F)C(F)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H10F7N/c10-6(7(11)12)8(13,9(14,15)16)17-4-2-1-3-5-17/h1-5H2
InChIKeyHCULTYWLIZZBLD-UHFFFAOYSA-N
MW265.17 g/mol
LogP3.78
Rot. Bonds2

About 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine

1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine (PubChem CID 129271744) has the molecular formula C9H10F7N and a molecular weight of 265.17 g/mol. Its IUPAC name is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine
PubChem CID129271744
Molecular FormulaC9H10F7N
Molecular Weight265.17 g/mol
Exact Mass265.07
IUPAC Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine
SMILESFC(F)=C(F)C(F)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H10F7N/c10-6(7(11)12)8(13,9(14,15)16)17-4-2-1-3-5-17/h1-5H2
InChIKeyHCULTYWLIZZBLD-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 53.78
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

CID 13864933
CID 13864933
CID 67894316
CID 67894316
CID 118673879
CID 118673879
CID 124118193
CID 124118193
CID 129207488
CID 129207488
CID 129207490
CID 129207490
CID 129207499
CID 129207499
CID 129207504
CID 129207504
CID 129207762
CID 129207762
CID 129271430
CID 129271430
CID 129271751
CID 129271751
CID 129271761
CID 129271761

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine?
The IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine (CID 129271744) is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine.
What is the SMILES notation for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine?
The canonical SMILES for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine is FC(F)=C(F)C(F)(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine?
The InChIKey is HCULTYWLIZZBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7N/c10-6(7(11)12)8(13,9(14,15)16)17-4-2-1-3-5-17/h1-5H2.
What are the key properties of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine?
1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine has a molecular weight of 265.17 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)piperidine is sourced from PubChem (CID 129271744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).