1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine

C11H19F2N — CID 134531058

IUPAC1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine
SMILESC=C(C)C(C)(F)C(F)N1CCCCC1
InChIInChI=1S/C11H19F2N/c1-9(2)11(3,13)10(12)14-7-5-4-6-8-14/h10H,1,4-8H2,2-3H3
InChIKeyYFWCTIBWFXBOIM-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.07
Rot. Bonds3

About 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine

1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine (PubChem CID 134531058) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine.

Molecular Properties

Compound Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine
PubChem CID134531058
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine
SMILESC=C(C)C(C)(F)C(F)N1CCCCC1
InChIInChI=1S/C11H19F2N/c1-9(2)11(3,13)10(12)14-7-5-4-6-8-14/h10H,1,4-8H2,2-3H3
InChIKeyYFWCTIBWFXBOIM-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine?
The IUPAC name of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine (CID 134531058) is 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine.
What is the SMILES notation for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine?
The canonical SMILES for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine is C=C(C)C(C)(F)C(F)N1CCCCC1.
What is the InChIKey of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine?
The InChIKey is YFWCTIBWFXBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-9(2)11(3,13)10(12)14-7-5-4-6-8-14/h10H,1,4-8H2,2-3H3.
What are the key properties of 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine?
1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine has a molecular weight of 203.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoro-2,3-dimethylbut-3-enyl)piperidine is sourced from PubChem (CID 134531058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).