1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole

C7H12FN — CID 88589108

IUPAC1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole
SMILESCC1=CCN(CCF)C1
InChIInChI=1S/C7H12FN/c1-7-2-4-9(6-7)5-3-8/h2H,3-6H2,1H3
InChIKeyVSMJWVKNPPOEQM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds2

About 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole

1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole (PubChem CID 88589108) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole
PubChem CID88589108
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole
SMILESCC1=CCN(CCF)C1
InChIInChI=1S/C7H12FN/c1-7-2-4-9(6-7)5-3-8/h2H,3-6H2,1H3
InChIKeyVSMJWVKNPPOEQM-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole?
The IUPAC name of 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole (CID 88589108) is 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole is CC1=CCN(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole?
The InChIKey is VSMJWVKNPPOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-7-2-4-9(6-7)5-3-8/h2H,3-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole?
1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole has a molecular weight of 129.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 88589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).