2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole

C7H11F2N — CID 146393027

IUPAC2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole
SMILESCCC1CC(F)=C(F)N1C
InChIInChI=1S/C7H11F2N/c1-3-5-4-6(8)7(9)10(5)2/h5H,3-4H2,1-2H3
InChIKeyKGAOWQDBLDBNRF-UHFFFAOYSA-N
MW147.17 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole

2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole (PubChem CID 146393027) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole
PubChem CID146393027
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole
SMILESCCC1CC(F)=C(F)N1C
InChIInChI=1S/C7H11F2N/c1-3-5-4-6(8)7(9)10(5)2/h5H,3-4H2,1-2H3
InChIKeyKGAOWQDBLDBNRF-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
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(2R)-2-ethyl-1-methylpiperidin-4-one
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4-ethyl-1,1,3-trimethyl-1,3-thiazolidine
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3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
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N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
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3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole (CID 146393027) is 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole is CCC1CC(F)=C(F)N1C.
What is the InChIKey of 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole?
The InChIKey is KGAOWQDBLDBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-5-4-6(8)7(9)10(5)2/h5H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole?
2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole has a molecular weight of 147.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-difluoro-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 146393027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).