2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine

C11H15F2N — CID 166957055

IUPAC2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine
SMILESFC1=CCC(F)C=C1C1CCCCN1
InChIInChI=1S/C11H15F2N/c12-8-4-5-10(13)9(7-8)11-3-1-2-6-14-11/h5,7-8,11,14H,1-4,6H2
InChIKeyBJGSZSWGOMVYNN-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.65
Rot. Bonds1

About 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine

2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 166957055) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine
PubChem CID166957055
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine
SMILESFC1=CCC(F)C=C1C1CCCCN1
InChIInChI=1S/C11H15F2N/c12-8-4-5-10(13)9(7-8)11-3-1-2-6-14-11/h5,7-8,11,14H,1-4,6H2
InChIKeyBJGSZSWGOMVYNN-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-1,2,5,6,7,8-hexahydroquinoline
CID 134963478
Hexahydrobenzo[f]quinoline
CID 88521331
6-fluoro-2,6-dimethyl-2,3,4,8a-tetrahydro-1H-quinoline
CID 23215469
2-(4-Fluorocyclohexen-1-yl)-1,2,3,4,8,8a-hexahydroquinolin-6-amine
CID 69620460
2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 69965134
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
(1R)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 89293523
2-(4-Fluorocyclohexa-1,3-dien-1-yl)pyrrolidine
CID 117997940
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]piperazine
CID 118312470
2-(2,5-Difluorohexa-2,4-dien-3-yl)piperidine
CID 123481461
2-(4-fluorocyclohexa-1,3-dien-1-yl)-2,5-dihydro-1H-pyrrole
CID 123702371
N-ethyl-1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]propan-2-amine
CID 132005049

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine (CID 166957055) is 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine is FC1=CCC(F)C=C1C1CCCCN1.
What is the InChIKey of 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is BJGSZSWGOMVYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c12-8-4-5-10(13)9(7-8)11-3-1-2-6-14-11/h5,7-8,11,14H,1-4,6H2.
What are the key properties of 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine?
2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 199.24 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-difluorocyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 166957055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).