1-methyl-3-(trifluoromethyl)pyrrole

C6H6F3N — CID 10464487

IUPAC1-methyl-3-(trifluoromethyl)pyrrole
SMILESCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h2-4H,1H3
InChIKeyMYHIVYMHAQNXAY-UHFFFAOYSA-N
MW149.11 g/mol
LogP2.04
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrrole

1-methyl-3-(trifluoromethyl)pyrrole (PubChem CID 10464487) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrole
PubChem CID10464487
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrole
SMILESCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h2-4H,1H3
InChIKeyMYHIVYMHAQNXAY-UHFFFAOYSA-N
XLogP2.04
TPSA4.93 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 ≤ 52.04
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)pyrrole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrole (CID 10464487) is 1-methyl-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrole is Cn1ccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrole?
The InChIKey is MYHIVYMHAQNXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-10-3-2-5(4-10)6(7,8)9/h2-4H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrole?
1-methyl-3-(trifluoromethyl)pyrrole has a molecular weight of 149.11 g/mol, XLogP of 2.04, 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)pyrrole is sourced from PubChem (CID 10464487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).