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

C14H14F3NO — CID 152523745

IUPAC2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
SMILESCc1cc(C)n(Cc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H14F3NO/c1-10-6-11(2)18(8-10)9-12-4-3-5-13(7-12)19-14(15,16)17/h3-8H,9H2,1-2H3
InChIKeyYIBUDEXVIBOHEF-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.05
Rot. Bonds3

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

2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole (PubChem CID 152523745) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
PubChem CID152523745
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
SMILESCc1cc(C)n(Cc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H14F3NO/c1-10-6-11(2)18(8-10)9-12-4-3-5-13(7-12)19-14(15,16)17/h3-8H,9H2,1-2H3
InChIKeyYIBUDEXVIBOHEF-UHFFFAOYSA-N
XLogP4.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
2-[5-methoxy-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-3-yl]acetic acid
CID 67243201
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
2-methyl-1-[3-(trifluoromethoxy)phenyl]pyrrole
CID 70285773
methanidyl-[[3-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723524
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-2,5-dione
CID 70101920

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole?
The IUPAC name of 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole (CID 152523745) is 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole.
What is the SMILES notation for 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole?
The canonical SMILES for 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole is Cc1cc(C)n(Cc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole?
The InChIKey is YIBUDEXVIBOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-10-6-11(2)18(8-10)9-12-4-3-5-13(7-12)19-14(15,16)17/h3-8H,9H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole?
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole has a molecular weight of 269.27 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole is sourced from PubChem (CID 152523745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).