4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole

C8H12FN — CID 145138438

IUPAC4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(F)c1C
InChIInChI=1S/C8H12FN/c1-4-7-5(2)8(9)10-6(7)3/h10H,4H2,1-3H3
InChIKeyYGIAOMQBVHEGFF-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.33
Rot. Bonds1

About 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole

4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole (PubChem CID 145138438) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole
PubChem CID145138438
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(F)c1C
InChIInChI=1S/C8H12FN/c1-4-7-5(2)8(9)10-6(7)3/h10H,4H2,1-3H3
InChIKeyYGIAOMQBVHEGFF-UHFFFAOYSA-N
XLogP2.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole?
The IUPAC name of 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole (CID 145138438) is 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole?
The canonical SMILES for 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole is CCc1c(C)[nH]c(F)c1C.
What is the InChIKey of 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole?
The InChIKey is YGIAOMQBVHEGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-7-5(2)8(9)10-6(7)3/h10H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole?
4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole has a molecular weight of 141.19 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-3,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 145138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).