3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole

C14H12F3NO — CID 142279629

IUPAC3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole
SMILESC=Cc1cn(C)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-3-10-8-18(2)9-12(10)11-6-4-5-7-13(11)19-14(15,16)17/h3-9H,1H2,2H3
InChIKeyJCKVMRBBKILPAH-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.23
Rot. Bonds3

About 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole

3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole (PubChem CID 142279629) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole.

Molecular Properties

Compound Name3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole
PubChem CID142279629
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole
SMILESC=Cc1cn(C)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-3-10-8-18(2)9-12(10)11-6-4-5-7-13(11)19-14(15,16)17/h3-9H,1H2,2H3
InChIKeyJCKVMRBBKILPAH-UHFFFAOYSA-N
XLogP4.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole?
The IUPAC name of 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole (CID 142279629) is 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole.
What is the SMILES notation for 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole?
The canonical SMILES for 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole is C=Cc1cn(C)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole?
The InChIKey is JCKVMRBBKILPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-3-10-8-18(2)9-12(10)11-6-4-5-7-13(11)19-14(15,16)17/h3-9H,1H2,2H3.
What are the key properties of 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole?
3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole has a molecular weight of 267.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole is sourced from PubChem (CID 142279629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).