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

C6H6F3N — CID 152749527

IUPAC1-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCN1C=C=C(C(F)(F)F)C1
InChIInChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h3H,4H2,1H3
InChIKeyFKLHHHPBLZVPIH-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.53
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-2H-pyrrole

1-methyl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 152749527) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID152749527
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name1-methyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCN1C=C=C(C(F)(F)F)C1
InChIInChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h3H,4H2,1H3
InChIKeyFKLHHHPBLZVPIH-UHFFFAOYSA-N
XLogP1.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-2H-pyrrole (CID 152749527) is 1-methyl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-2H-pyrrole is CN1C=C=C(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is FKLHHHPBLZVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h3H,4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-2H-pyrrole?
1-methyl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 149.11 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 152749527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).