2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole

C10H14F3N — CID 102054307

IUPAC2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole
SMILESCn1cc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H14F3N/c1-9(2,3)8-5-7(6-14(8)4)10(11,12)13/h5-6H,1-4H3
InChIKeyJSEWDSAJHXMQFO-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.34
Rot. Bonds

About 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole

2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole (PubChem CID 102054307) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole
PubChem CID102054307
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole
SMILESCn1cc(C(F)(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H14F3N/c1-9(2,3)8-5-7(6-14(8)4)10(11,12)13/h5-6H,1-4H3
InChIKeyJSEWDSAJHXMQFO-UHFFFAOYSA-N
XLogP3.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 164560094
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CID 22975209
1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
CID 139378807
2-tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
tert-butyl N-(methylcarbamoyl)-N-[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 170788822
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
2-(5-bromo-1-methylpyrrol-3-yl)propan-2-ol
CID 84683373
3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
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5-tert-butyl-3-fluoro-1-methylpyrazole
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1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole?
The IUPAC name of 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole (CID 102054307) is 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole.
What is the SMILES notation for 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole?
The canonical SMILES for 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole is Cn1cc(C(F)(F)F)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole?
The InChIKey is JSEWDSAJHXMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-9(2,3)8-5-7(6-14(8)4)10(11,12)13/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole?
2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole has a molecular weight of 205.22 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4-(trifluoromethyl)pyrrole is sourced from PubChem (CID 102054307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).