2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole

C8H10FN — CID 123394351

IUPAC2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
SMILESCC=c1[nH]ccc1=C(C)F
InChIInChI=1S/C8H10FN/c1-3-8-7(6(2)9)4-5-10-8/h3-5,10H,1-2H3
InChIKeyBLURQTXFVNVDHQ-UHFFFAOYSA-N
MW139.17 g/mol
LogP0.91
Rot. Bonds

About 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole

2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole (PubChem CID 123394351) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole.

Molecular Properties

Compound Name2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
PubChem CID123394351
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
SMILESCC=c1[nH]ccc1=C(C)F
InChIInChI=1S/C8H10FN/c1-3-8-7(6(2)9)4-5-10-8/h3-5,10H,1-2H3
InChIKeyBLURQTXFVNVDHQ-UHFFFAOYSA-N
XLogP0.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole?
The IUPAC name of 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole (CID 123394351) is 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole.
What is the SMILES notation for 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole?
The canonical SMILES for 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole is CC=c1[nH]ccc1=C(C)F.
What is the InChIKey of 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole?
The InChIKey is BLURQTXFVNVDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-3-8-7(6(2)9)4-5-10-8/h3-5,10H,1-2H3.
What are the key properties of 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole?
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole has a molecular weight of 139.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole is sourced from PubChem (CID 123394351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).