3-fluoro-3-methylpyrrole

C5H6FN — CID 154640931

IUPAC3-fluoro-3-methylpyrrole
SMILESCC1(F)C=CN=C1
InChIInChI=1S/C5H6FN/c1-5(6)2-3-7-4-5/h2-4H,1H3
InChIKeyXMADMCXYIPBKEY-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.31
Rot. Bonds

About 3-fluoro-3-methylpyrrole

3-fluoro-3-methylpyrrole (PubChem CID 154640931) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 3-fluoro-3-methylpyrrole.

Molecular Properties

Compound Name3-fluoro-3-methylpyrrole
PubChem CID154640931
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name3-fluoro-3-methylpyrrole
SMILESCC1(F)C=CN=C1
InChIInChI=1S/C5H6FN/c1-5(6)2-3-7-4-5/h2-4H,1H3
InChIKeyXMADMCXYIPBKEY-UHFFFAOYSA-N
XLogP1.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3H-pyrrole
CID 67893608
5-Fluoro-3,3-dimethylpyrrole
CID 89115699
3,3-Difluoropyrrole
CID 91281361
3,3-Difluoropyrrole;hydrochloride
CID 139329885
2-Fluoro-3,3-dimethylpyrrole
CID 174913653
4-Fluoro-3,3-dimethylpyrrole
CID 176551020
3-methyl-3H-pyrrole
CID 10953038
3,3-Dimethylpyrrole
CID 18759231
(3R)-3-methyl-3H-pyrrole
CID 154518711
3-Prop-1-enylidenepyrrole
CID 163642247
Sodium;3,3-dimethylpyrrole;hydride
CID 174360500
3,3-Dimethylpyrrole;hydrochloride
CID 174996377

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylpyrrole?
The IUPAC name of 3-fluoro-3-methylpyrrole (CID 154640931) is 3-fluoro-3-methylpyrrole.
What is the SMILES notation for 3-fluoro-3-methylpyrrole?
The canonical SMILES for 3-fluoro-3-methylpyrrole is CC1(F)C=CN=C1.
What is the InChIKey of 3-fluoro-3-methylpyrrole?
The InChIKey is XMADMCXYIPBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c1-5(6)2-3-7-4-5/h2-4H,1H3.
What are the key properties of 3-fluoro-3-methylpyrrole?
3-fluoro-3-methylpyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylpyrrole is sourced from PubChem (CID 154640931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).