1-(1-fluoroethyl)-2,5-dihydropyrrole

C6H10FN — CID 139880311

IUPAC1-(1-fluoroethyl)-2,5-dihydropyrrole
SMILESCC(F)N1CC=CC1
InChIInChI=1S/C6H10FN/c1-6(7)8-4-2-3-5-8/h2-3,6H,4-5H2,1H3
InChIKeyZZFOXNFQXSIBAP-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.17
Rot. Bonds1

About 1-(1-fluoroethyl)-2,5-dihydropyrrole

1-(1-fluoroethyl)-2,5-dihydropyrrole (PubChem CID 139880311) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(1-fluoroethyl)-2,5-dihydropyrrole
PubChem CID139880311
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name1-(1-fluoroethyl)-2,5-dihydropyrrole
SMILESCC(F)N1CC=CC1
InChIInChI=1S/C6H10FN/c1-6(7)8-4-2-3-5-8/h2-3,6H,4-5H2,1H3
InChIKeyZZFOXNFQXSIBAP-UHFFFAOYSA-N
XLogP1.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(1-fluoroethyl)-2,5-dihydropyrrole (CID 139880311) is 1-(1-fluoroethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(1-fluoroethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(1-fluoroethyl)-2,5-dihydropyrrole is CC(F)N1CC=CC1.
What is the InChIKey of 1-(1-fluoroethyl)-2,5-dihydropyrrole?
The InChIKey is ZZFOXNFQXSIBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-6(7)8-4-2-3-5-8/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(1-fluoroethyl)-2,5-dihydropyrrole?
1-(1-fluoroethyl)-2,5-dihydropyrrole has a molecular weight of 115.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 139880311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).