1-tert-butyl-2-fluoro-5-methylpyrrole

C9H14FN — CID 146377950

IUPAC1-tert-butyl-2-fluoro-5-methylpyrrole
SMILESCc1ccc(F)n1C(C)(C)C
InChIInChI=1S/C9H14FN/c1-7-5-6-8(10)11(7)9(2,3)4/h5-6H,1-4H3
InChIKeyRIGPMBLYXVGCCC-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.69
Rot. Bonds

About 1-tert-butyl-2-fluoro-5-methylpyrrole

1-tert-butyl-2-fluoro-5-methylpyrrole (PubChem CID 146377950) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-tert-butyl-2-fluoro-5-methylpyrrole.

Molecular Properties

Compound Name1-tert-butyl-2-fluoro-5-methylpyrrole
PubChem CID146377950
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-tert-butyl-2-fluoro-5-methylpyrrole
SMILESCc1ccc(F)n1C(C)(C)C
InChIInChI=1S/C9H14FN/c1-7-5-6-8(10)11(7)9(2,3)4/h5-6H,1-4H3
InChIKeyRIGPMBLYXVGCCC-UHFFFAOYSA-N
XLogP2.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-1-(3,5,5-trimethylhexan-3-yl)pyrrole
CID 139441413
4-tert-butyl-3,5-difluoro-1,2,4-triazole
CID 146379599
8-tert-butyl-3-fluoro-5-methylimidazo[1,2-a]pyridine
CID 166563481
1,3-ditert-butyl-2,5-dimethylpyrrole
CID 169017974
2-(2,5-dimethylpyrrol-1-yl)-3-hydroxy-2-methylpropanoic acid
CID 131049022
1-tert-butyl-4,5-dichloro-2-fluoroimidazole
CID 146377803
4-tert-butyl-3-(chloromethyl)-5-(2,4-difluorophenyl)-1,2,4-triazole
CID 113301986
9-tert-butyl-2-fluorocarbazole
CID 177283340
2-(2,5-dimethylpyrrol-1-yl)-2-ethylbutanenitrile
CID 79687070
1-tert-butyl-2-(difluoromethyl)-5-iodopyrrole
CID 153449635
1-(difluoromethyl)-2,5-dimethylpyrrole
CID 146323567
2-bromo-1-tert-butyl-5-iodopyrrole
CID 146377796

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluoro-5-methylpyrrole?
The IUPAC name of 1-tert-butyl-2-fluoro-5-methylpyrrole (CID 146377950) is 1-tert-butyl-2-fluoro-5-methylpyrrole.
What is the SMILES notation for 1-tert-butyl-2-fluoro-5-methylpyrrole?
The canonical SMILES for 1-tert-butyl-2-fluoro-5-methylpyrrole is Cc1ccc(F)n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-fluoro-5-methylpyrrole?
The InChIKey is RIGPMBLYXVGCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7-5-6-8(10)11(7)9(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-2-fluoro-5-methylpyrrole?
1-tert-butyl-2-fluoro-5-methylpyrrole has a molecular weight of 155.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluoro-5-methylpyrrole is sourced from PubChem (CID 146377950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).