5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole

C9H12F3N — CID 118344869

IUPAC5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1=NCC(C(F)(F)F)=C1C(C)C
InChIInChI=1S/C9H12F3N/c1-5(2)8-6(3)13-4-7(8)9(10,11)12/h5H,4H2,1-3H3
InChIKeyILFOPAZJLJNENJ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.98
Rot. Bonds1

About 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole

5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 118344869) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID118344869
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1=NCC(C(F)(F)F)=C1C(C)C
InChIInChI=1S/C9H12F3N/c1-5(2)8-6(3)13-4-7(8)9(10,11)12/h5H,4H2,1-3H3
InChIKeyILFOPAZJLJNENJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.36 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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole (CID 118344869) is 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole is CC1=NCC(C(F)(F)F)=C1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is ILFOPAZJLJNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5(2)8-6(3)13-4-7(8)9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole?
5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 191.20 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 118344869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).