1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole

C12H20F3N — CID 155261879

IUPAC1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1C(C(F)(F)F)C=CN1C(C)(C)C(C)C
InChIInChI=1S/C12H20F3N/c1-8(2)11(4,5)16-7-6-10(9(16)3)12(13,14)15/h6-10H,1-5H3
InChIKeySFVWYVKHTPGSSN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole

1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 155261879) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID155261879
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1C(C(F)(F)F)C=CN1C(C)(C)C(C)C
InChIInChI=1S/C12H20F3N/c1-8(2)11(4,5)16-7-6-10(9(16)3)12(13,14)15/h6-10H,1-5H3
InChIKeySFVWYVKHTPGSSN-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
CID 162404797
1,3-Di(propan-2-yl)-2,3-dihydropyrrole
CID 59559428
1-Tert-butyl-2-propan-2-yl-2,3-dihydropyrrole
CID 89935481
2,3-Dimethyl-1-propyl-2,3-dihydropyrrole
CID 144601769

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole (CID 155261879) is 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole is CC1C(C(F)(F)F)C=CN1C(C)(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is SFVWYVKHTPGSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-8(2)11(4,5)16-7-6-10(9(16)3)12(13,14)15/h6-10H,1-5H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 235.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 155261879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).