1-methyl-2-(trifluoromethoxy)pyrrole

C6H6F3NO — CID 123572784

IUPAC1-methyl-2-(trifluoromethoxy)pyrrole
SMILESCn1cccc1OC(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-4H,1H3
InChIKeyDBUHJFAQOVDMSU-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.92
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)pyrrole

1-methyl-2-(trifluoromethoxy)pyrrole (PubChem CID 123572784) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)pyrrole.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)pyrrole
PubChem CID123572784
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name1-methyl-2-(trifluoromethoxy)pyrrole
SMILESCn1cccc1OC(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-4H,1H3
InChIKeyDBUHJFAQOVDMSU-UHFFFAOYSA-N
XLogP1.92
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)pyrrole?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)pyrrole (CID 123572784) is 1-methyl-2-(trifluoromethoxy)pyrrole.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)pyrrole?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)pyrrole is Cn1cccc1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)pyrrole?
The InChIKey is DBUHJFAQOVDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-10-4-2-3-5(10)11-6(7,8)9/h2-4H,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)pyrrole?
1-methyl-2-(trifluoromethoxy)pyrrole has a molecular weight of 165.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)pyrrole is sourced from PubChem (CID 123572784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).