1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine

C10H17F2N — CID 131235630

IUPAC1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine
SMILESC/C=C/CN1CCCCC1C(F)F
InChIInChI=1S/C10H17F2N/c1-2-3-7-13-8-5-4-6-9(13)10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyAXGGHKJYTSYLKG-NSCUHMNNSA-N
MW189.25 g/mol
LogP2.68
Rot. Bonds3

About 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine

1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine (PubChem CID 131235630) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine
PubChem CID131235630
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine
SMILESC/C=C/CN1CCCCC1C(F)F
InChIInChI=1S/C10H17F2N/c1-2-3-7-13-8-5-4-6-9(13)10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+
InChIKeyAXGGHKJYTSYLKG-NSCUHMNNSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine (CID 131235630) is 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine is C/C=C/CN1CCCCC1C(F)F.
What is the InChIKey of 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine?
The InChIKey is AXGGHKJYTSYLKG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-3-7-13-8-5-4-6-9(13)10(11)12/h2-3,9-10H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine?
1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine has a molecular weight of 189.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-2-(difluoromethyl)piperidine is sourced from PubChem (CID 131235630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).