1,3,4-trimethyl-2-(trifluoromethyl)pyrrole

C8H10F3N — CID 146185973

IUPAC1,3,4-trimethyl-2-(trifluoromethyl)pyrrole
SMILESCc1cn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H10F3N/c1-5-4-12(3)7(6(5)2)8(9,10)11/h4H,1-3H3
InChIKeyNEPPXSBFUKMBRW-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.66
Rot. Bonds

About 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole

1,3,4-trimethyl-2-(trifluoromethyl)pyrrole (PubChem CID 146185973) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1,3,4-trimethyl-2-(trifluoromethyl)pyrrole
PubChem CID146185973
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name1,3,4-trimethyl-2-(trifluoromethyl)pyrrole
SMILESCc1cn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C8H10F3N/c1-5-4-12(3)7(6(5)2)8(9,10)11/h4H,1-3H3
InChIKeyNEPPXSBFUKMBRW-UHFFFAOYSA-N
XLogP2.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole?
The IUPAC name of 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole (CID 146185973) is 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole?
The canonical SMILES for 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole is Cc1cn(C)c(C(F)(F)F)c1C.
What is the InChIKey of 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole?
The InChIKey is NEPPXSBFUKMBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-4-12(3)7(6(5)2)8(9,10)11/h4H,1-3H3.
What are the key properties of 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole?
1,3,4-trimethyl-2-(trifluoromethyl)pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2-(trifluoromethyl)pyrrole is sourced from PubChem (CID 146185973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).