(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole

C8H10F3N — CID 163843203

IUPAC(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC[C@@H]1C=C(C)C(C(F)(F)F)=N1
InChIInChI=1S/C8H10F3N/c1-3-6-4-5(2)7(12-6)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1
InChIKeyONVKEBDGNNCKAT-ZCFIWIBFSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds1

About (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole

(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole (PubChem CID 163843203) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole
PubChem CID163843203
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole
SMILESCC[C@@H]1C=C(C)C(C(F)(F)F)=N1
InChIInChI=1S/C8H10F3N/c1-3-6-4-5(2)7(12-6)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1
InChIKeyONVKEBDGNNCKAT-ZCFIWIBFSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole (CID 163843203) is (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole is CC[C@@H]1C=C(C)C(C(F)(F)F)=N1.
What is the InChIKey of (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole?
The InChIKey is ONVKEBDGNNCKAT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-6-4-5(2)7(12-6)8(9,10)11/h4,6H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole?
(2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole has a molecular weight of 177.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-methyl-5-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 163843203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).