4-methyl-3-(trifluoromethyl)-2H-pyrrole

C6H6F3N — CID 161178244

IUPAC4-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1=C(C(F)(F)F)CN=C1
InChIInChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2H,3H2,1H3
InChIKeyIHOYDGNBGVWVIU-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.95
Rot. Bonds

About 4-methyl-3-(trifluoromethyl)-2H-pyrrole

4-methyl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 161178244) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID161178244
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name4-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC1=C(C(F)(F)F)CN=C1
InChIInChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2H,3H2,1H3
InChIKeyIHOYDGNBGVWVIU-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-2H-pyrrole (CID 161178244) is 4-methyl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-2H-pyrrole is CC1=C(C(F)(F)F)CN=C1.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is IHOYDGNBGVWVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-4-2-10-3-5(4)6(7,8)9/h2H,3H2,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-2H-pyrrole?
4-methyl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 149.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 161178244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).