2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole

C7H12FN — CID 166957916

IUPAC2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole
SMILESCCC1C=C(F)CN1C
InChIInChI=1S/C7H12FN/c1-3-7-4-6(8)5-9(7)2/h4,7H,3,5H2,1-2H3
InChIKeyWILLUJPFKDBZMP-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds1

About 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole

2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole (PubChem CID 166957916) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole
PubChem CID166957916
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole
SMILESCCC1C=C(F)CN1C
InChIInChI=1S/C7H12FN/c1-3-7-4-6(8)5-9(7)2/h4,7H,3,5H2,1-2H3
InChIKeyWILLUJPFKDBZMP-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole (CID 166957916) is 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole is CCC1C=C(F)CN1C.
What is the InChIKey of 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole?
The InChIKey is WILLUJPFKDBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7-4-6(8)5-9(7)2/h4,7H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole?
2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole has a molecular weight of 129.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 166957916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).