3-fluoro-1-methyl-2,5-dihydropyrrole

C5H8FN — CID 90903503

IUPAC3-fluoro-1-methyl-2,5-dihydropyrrole
SMILESCN1CC=C(F)C1
InChIInChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h2H,3-4H2,1H3
InChIKeyMFHPTLYEZWABNE-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.79
Rot. Bonds

About 3-fluoro-1-methyl-2,5-dihydropyrrole

3-fluoro-1-methyl-2,5-dihydropyrrole (PubChem CID 90903503) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 3-fluoro-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-fluoro-1-methyl-2,5-dihydropyrrole
PubChem CID90903503
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name3-fluoro-1-methyl-2,5-dihydropyrrole
SMILESCN1CC=C(F)C1
InChIInChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h2H,3-4H2,1H3
InChIKeyMFHPTLYEZWABNE-UHFFFAOYSA-N
XLogP0.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dihydro-1-methylpyrrole
CID 136355
1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744
1,1-Dimethyl-2,5-dihydropyrrol-1-ium
CID 19037197
1-Prop-2-enyl-2,5-dihydropyrrole
CID 67908753
N-ethyl-2-fluoro-N-methylprop-2-en-1-amine
CID 59154992
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine
CID 131108623
trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium
CID 135270741
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(1-Fluoroethyl)-2,5-dihydropyrrole
CID 139880311
1-(2,2-Difluoroethyl)-2,5-dihydropyrrole
CID 139880316
1-(Fluoromethyl)-2,5-dihydropyrrole
CID 139880328

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 3-fluoro-1-methyl-2,5-dihydropyrrole (CID 90903503) is 3-fluoro-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-fluoro-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 3-fluoro-1-methyl-2,5-dihydropyrrole is CN1CC=C(F)C1.
What is the InChIKey of 3-fluoro-1-methyl-2,5-dihydropyrrole?
The InChIKey is MFHPTLYEZWABNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-7-3-2-5(6)4-7/h2H,3-4H2,1H3.
What are the key properties of 3-fluoro-1-methyl-2,5-dihydropyrrole?
3-fluoro-1-methyl-2,5-dihydropyrrole has a molecular weight of 101.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 90903503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).