2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine

C11H16FN — CID 163443954

IUPAC2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCC1=CC(F)CC=C1C1CCCN1
InChIInChI=1S/C11H16FN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h5,7,9,11,13H,2-4,6H2,1H3
InChIKeyBAXKGQNKSAYSQS-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.35
Rot. Bonds1

About 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine

2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 163443954) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID163443954
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCC1=CC(F)CC=C1C1CCCN1
InChIInChI=1S/C11H16FN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h5,7,9,11,13H,2-4,6H2,1H3
InChIKeyBAXKGQNKSAYSQS-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 117316900
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
CID 55293321
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine (CID 163443954) is 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine is CC1=CC(F)CC=C1C1CCCN1.
What is the InChIKey of 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is BAXKGQNKSAYSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-7-9(12)4-5-10(8)11-3-2-6-13-11/h5,7,9,11,13H,2-4,6H2,1H3.
What are the key properties of 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine?
2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 163443954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).