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

C12H10F3NO — CID 70285773

IUPAC2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
SMILESCc1cccn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H10F3NO/c1-9-4-3-7-16(9)10-5-2-6-11(8-10)17-12(13,14)15/h2-8H,1H3
InChIKeyKCBTUPIVFJTYJS-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.68
Rot. Bonds2

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

2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole (PubChem CID 70285773) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole.

Molecular Properties

Compound Name2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
PubChem CID70285773
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
SMILESCc1cccn1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H10F3NO/c1-9-4-3-7-16(9)10-5-2-6-11(8-10)17-12(13,14)15/h2-8H,1H3
InChIKeyKCBTUPIVFJTYJS-UHFFFAOYSA-N
XLogP3.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(trifluoromethoxy)phenyl]imidazole
CID 173241716
5-methyl-3-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-imine
CID 21480091
1-(3-chlorophenyl)-2-methylpyrrole
CID 70286034
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid
CID 114603671
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
4-(chloromethyl)-1-[3-(trifluoromethoxy)phenyl]triazole
CID 122241334
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
ethane;3-(trifluoromethoxy)phenol
CID 143201974
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole?
The IUPAC name of 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole (CID 70285773) is 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole.
What is the SMILES notation for 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole?
The canonical SMILES for 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole is Cc1cccn1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole?
The InChIKey is KCBTUPIVFJTYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-9-4-3-7-16(9)10-5-2-6-11(8-10)17-12(13,14)15/h2-8H,1H3.
What are the key properties of 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole?
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole has a molecular weight of 241.21 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole is sourced from PubChem (CID 70285773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).