4-fluoro-1,2-dimethyl-2,5-dihydropyrrole

C6H10FN — CID 139314201

IUPAC4-fluoro-1,2-dimethyl-2,5-dihydropyrrole
SMILESCC1C=C(F)CN1C
InChIInChI=1S/C6H10FN/c1-5-3-6(7)4-8(5)2/h3,5H,4H2,1-2H3
InChIKeyJSPDBNRAJIUPKN-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.17
Rot. Bonds

About 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole

4-fluoro-1,2-dimethyl-2,5-dihydropyrrole (PubChem CID 139314201) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name4-fluoro-1,2-dimethyl-2,5-dihydropyrrole
PubChem CID139314201
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluoro-1,2-dimethyl-2,5-dihydropyrrole
SMILESCC1C=C(F)CN1C
InChIInChI=1S/C6H10FN/c1-5-3-6(7)4-8(5)2/h3,5H,4H2,1-2H3
InChIKeyJSPDBNRAJIUPKN-UHFFFAOYSA-N
XLogP1.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole (CID 139314201) is 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole is CC1C=C(F)CN1C.
What is the InChIKey of 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole?
The InChIKey is JSPDBNRAJIUPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-5-3-6(7)4-8(5)2/h3,5H,4H2,1-2H3.
What are the key properties of 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole?
4-fluoro-1,2-dimethyl-2,5-dihydropyrrole has a molecular weight of 115.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 139314201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).