2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine

C13H20FN — CID 134386445

IUPAC2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
SMILESCC1CC=C(F)C=C1C1(C)CCCN1C
InChIInChI=1S/C13H20FN/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15(13)3/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyTULCZTRXWRQPNB-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.29
Rot. Bonds1

About 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine

2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine (PubChem CID 134386445) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
PubChem CID134386445
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
SMILESCC1CC=C(F)C=C1C1(C)CCCN1C
InChIInChI=1S/C13H20FN/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15(13)3/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyTULCZTRXWRQPNB-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
2-(5-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1-methylpyrrolidine
CID 123245342
3-(4-Ethyl-2-fluorocyclohepta-2,4-dien-1-yl)-1-(1-methylcyclobutyl)pyrrolidine
CID 134591601
1-tert-butyl-3-[(2Z,4E)-1,5-difluorohexa-2,4-dien-2-yl]pyrrolidine
CID 142953906
(3aS)-1-ethyl-4-fluoro-3-hexan-3-yl-7-methyl-3a,7a-dihydroindole
CID 143396173
1-(5,5-Difluorohexan-3-yl)-3-(4-fluorocyclohexa-1,3-dien-1-yl)pyrrolidine;ethane
CID 144148501
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethyl-3-(trifluoromethyl)pyrrolidine
CID 156071346
7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-(1-methylpyrrolidin-3-yl)methanamine
CID 163864428
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine?
The IUPAC name of 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine (CID 134386445) is 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine.
What is the SMILES notation for 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine?
The canonical SMILES for 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine is CC1CC=C(F)C=C1C1(C)CCCN1C.
What is the InChIKey of 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine?
The InChIKey is TULCZTRXWRQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10-5-6-11(14)9-12(10)13(2)7-4-8-15(13)3/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine?
2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine has a molecular weight of 209.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 134386445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).