1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole

C13H20FN — CID 175283011

IUPAC1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole
SMILESCc1c(F)ccn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H20FN/c1-10-12(14)6-9-15(10)11-4-7-13(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyTYQCLGXGDVKGDS-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.08
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole

1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole (PubChem CID 175283011) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole
PubChem CID175283011
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole
SMILESCc1c(F)ccn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H20FN/c1-10-12(14)6-9-15(10)11-4-7-13(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyTYQCLGXGDVKGDS-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4,4-dimethylcyclohexyl)-1H-imidazol-2-one
CID 103125740
1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
CID 106574668
3-hydroxy-1-[4-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)cyclohexyl]-2-methylpyridin-4-one
CID 155465107
2-methyl-1-(oxan-4-yl)-3-phenylpyrrole
CID 164681715
1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole
CID 175268780
N-cyclohexyl-1-(4,4-dimethylcyclohexyl)imidazol-2-amine
CID 106574656
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
1-cyclopropyl-2-methylpyrrole
CID 22288599
4-(3,3-dimethylcyclopentyl)-1H-1,2,4-triazole-5-thione
CID 114548217
(1R)-1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethanamine
CID 104943263
1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
CID 144911080

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole (CID 175283011) is 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole is Cc1c(F)ccn1C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole?
The InChIKey is TYQCLGXGDVKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10-12(14)6-9-15(10)11-4-7-13(2,3)8-5-11/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole?
1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole has a molecular weight of 209.31 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole is sourced from PubChem (CID 175283011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).