2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole

C9H12F3N — CID 170364392

IUPAC2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole
SMILESCc1ccc(C(F)(F)F)n1C(C)C
InChIInChI=1S/C9H12F3N/c1-6(2)13-7(3)4-5-8(13)9(10,11)12/h4-6H,1-3H3
InChIKeyQWBKEXPXWLGZBX-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.40
Rot. Bonds1

About 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole

2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole (PubChem CID 170364392) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole
PubChem CID170364392
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole
SMILESCc1ccc(C(F)(F)F)n1C(C)C
InChIInChI=1S/C9H12F3N/c1-6(2)13-7(3)4-5-8(13)9(10,11)12/h4-6H,1-3H3
InChIKeyQWBKEXPXWLGZBX-UHFFFAOYSA-N
XLogP3.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole?
The IUPAC name of 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole (CID 170364392) is 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole.
What is the SMILES notation for 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole?
The canonical SMILES for 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole is Cc1ccc(C(F)(F)F)n1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole?
The InChIKey is QWBKEXPXWLGZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)13-7(3)4-5-8(13)9(10,11)12/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole?
2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole has a molecular weight of 191.20 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole is sourced from PubChem (CID 170364392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).