4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole

C10H12FN — CID 145157835

IUPAC4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole
SMILESC=CC1=C(C(=C)F)CN(C)C1=C
InChIInChI=1S/C10H12FN/c1-5-9-8(3)12(4)6-10(9)7(2)11/h5H,1-3,6H2,4H3
InChIKeyVDTBIIMZDSAAGD-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.41
Rot. Bonds2

About 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole

4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole (PubChem CID 145157835) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole
PubChem CID145157835
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole
SMILESC=CC1=C(C(=C)F)CN(C)C1=C
InChIInChI=1S/C10H12FN/c1-5-9-8(3)12(4)6-10(9)7(2)11/h5H,1-3,6H2,4H3
InChIKeyVDTBIIMZDSAAGD-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole?
The IUPAC name of 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole (CID 145157835) is 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole.
What is the SMILES notation for 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole?
The canonical SMILES for 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole is C=CC1=C(C(=C)F)CN(C)C1=C.
What is the InChIKey of 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole?
The InChIKey is VDTBIIMZDSAAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-5-9-8(3)12(4)6-10(9)7(2)11/h5H,1-3,6H2,4H3.
What are the key properties of 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole?
4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole has a molecular weight of 165.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole is sourced from PubChem (CID 145157835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).