1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine

C11H15F2N — CID 23123419

IUPAC1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1C=CC=CC1(F)N1CCCCC1
InChIInChI=1S/C11H15F2N/c12-10-6-2-3-7-11(10,13)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyXGYMGKMJSFXRJT-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.60
Rot. Bonds1

About 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine

1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 23123419) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine
PubChem CID23123419
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1C=CC=CC1(F)N1CCCCC1
InChIInChI=1S/C11H15F2N/c12-10-6-2-3-7-11(10,13)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyXGYMGKMJSFXRJT-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine (CID 23123419) is 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine is FC1C=CC=CC1(F)N1CCCCC1.
What is the InChIKey of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is XGYMGKMJSFXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c12-10-6-2-3-7-11(10,13)14-8-4-1-5-9-14/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine?
1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 199.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 23123419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).