2-(2,2-difluoropentyl)-3,3-dimethylpyrrole

C11H17F2N — CID 141403109

IUPAC2-(2,2-difluoropentyl)-3,3-dimethylpyrrole
SMILESCCCC(F)(F)CC1=NC=CC1(C)C
InChIInChI=1S/C11H17F2N/c1-4-5-11(12,13)8-9-10(2,3)6-7-14-9/h6-7H,4-5,8H2,1-3H3
InChIKeyNHZUWRKREFQLFO-UHFFFAOYSA-N
MW201.26 g/mol
LogP3.81
Rot. Bonds4

About 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole

2-(2,2-difluoropentyl)-3,3-dimethylpyrrole (PubChem CID 141403109) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole.

Molecular Properties

Compound Name2-(2,2-difluoropentyl)-3,3-dimethylpyrrole
PubChem CID141403109
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name2-(2,2-difluoropentyl)-3,3-dimethylpyrrole
SMILESCCCC(F)(F)CC1=NC=CC1(C)C
InChIInChI=1S/C11H17F2N/c1-4-5-11(12,13)8-9-10(2,3)6-7-14-9/h6-7H,4-5,8H2,1-3H3
InChIKeyNHZUWRKREFQLFO-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
CID 59159512
4-tert-butyl-4-methyl-2-(3,3,3-trifluoropropyl)-3H-pyridine
CID 129191466
4-Tert-butyl-2-(3,3,3-trifluoropropyl)-3,4-dihydropyridine
CID 134216099
5-Fluoro-3,3-dimethyl-2-nonylpyrrole
CID 101373741
2-Ethyl-3-methyl-3-propylpyrrole
CID 90015987
2-(3,3-dimethylbutyl)-3H-pyrrole
CID 158200683

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole?
The IUPAC name of 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole (CID 141403109) is 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole.
What is the SMILES notation for 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole?
The canonical SMILES for 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole is CCCC(F)(F)CC1=NC=CC1(C)C.
What is the InChIKey of 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole?
The InChIKey is NHZUWRKREFQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N/c1-4-5-11(12,13)8-9-10(2,3)6-7-14-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole?
2-(2,2-difluoropentyl)-3,3-dimethylpyrrole has a molecular weight of 201.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropentyl)-3,3-dimethylpyrrole is sourced from PubChem (CID 141403109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).