1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole

C14H14F3N — CID 156726927

IUPAC1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole
SMILESCCc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N/c1-3-11-6-12(14(15,16)17)8-13(7-11)18-5-4-10(2)9-18/h4-9H,3H2,1-2H3
InChIKeyIEDSUHWDXVWGQT-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.37
Rot. Bonds2

About 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole

1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole (PubChem CID 156726927) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole.

Molecular Properties

Compound Name1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole
PubChem CID156726927
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole
SMILESCCc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N/c1-3-11-6-12(14(15,16)17)8-13(7-11)18-5-4-10(2)9-18/h4-9H,3H2,1-2H3
InChIKeyIEDSUHWDXVWGQT-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole?
The IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole (CID 156726927) is 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole.
What is the SMILES notation for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole?
The canonical SMILES for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole is CCc1cc(-n2ccc(C)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole?
The InChIKey is IEDSUHWDXVWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-3-11-6-12(14(15,16)17)8-13(7-11)18-5-4-10(2)9-18/h4-9H,3H2,1-2H3.
What are the key properties of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole?
1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole has a molecular weight of 253.27 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole is sourced from PubChem (CID 156726927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).