1-butyl-4-fluoro-2,3-dihydropyrrole

C8H14FN — CID 169251520

IUPAC1-butyl-4-fluoro-2,3-dihydropyrrole
SMILESCCCCN1C=C(F)CC1
InChIInChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h7H,2-6H2,1H3
InChIKeyBHHLQKDAADUTJS-UHFFFAOYSA-N
MW143.21 g/mol
LogP2.30
Rot. Bonds3

About 1-butyl-4-fluoro-2,3-dihydropyrrole

1-butyl-4-fluoro-2,3-dihydropyrrole (PubChem CID 169251520) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-butyl-4-fluoro-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-butyl-4-fluoro-2,3-dihydropyrrole
PubChem CID169251520
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name1-butyl-4-fluoro-2,3-dihydropyrrole
SMILESCCCCN1C=C(F)CC1
InChIInChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h7H,2-6H2,1H3
InChIKeyBHHLQKDAADUTJS-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-fluoro-2,3-dihydropyrrole?
The IUPAC name of 1-butyl-4-fluoro-2,3-dihydropyrrole (CID 169251520) is 1-butyl-4-fluoro-2,3-dihydropyrrole.
What is the SMILES notation for 1-butyl-4-fluoro-2,3-dihydropyrrole?
The canonical SMILES for 1-butyl-4-fluoro-2,3-dihydropyrrole is CCCCN1C=C(F)CC1.
What is the InChIKey of 1-butyl-4-fluoro-2,3-dihydropyrrole?
The InChIKey is BHHLQKDAADUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-3-5-10-6-4-8(9)7-10/h7H,2-6H2,1H3.
What are the key properties of 1-butyl-4-fluoro-2,3-dihydropyrrole?
1-butyl-4-fluoro-2,3-dihydropyrrole has a molecular weight of 143.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-fluoro-2,3-dihydropyrrole is sourced from PubChem (CID 169251520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).