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

C9H12FN — CID 123276003

IUPAC2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
SMILESCC=c1[nH]ccc1=C(F)CC
InChIInChI=1S/C9H12FN/c1-3-8(10)7-5-6-11-9(7)4-2/h4-6,11H,3H2,1-2H3
InChIKeyWDLZJWBACPYRRG-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.30
Rot. Bonds1

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

2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole (PubChem CID 123276003) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole.

Molecular Properties

Compound Name2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
PubChem CID123276003
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
SMILESCC=c1[nH]ccc1=C(F)CC
InChIInChI=1S/C9H12FN/c1-3-8(10)7-5-6-11-9(7)4-2/h4-6,11H,3H2,1-2H3
InChIKeyWDLZJWBACPYRRG-UHFFFAOYSA-N
XLogP1.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.30
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-fluoropropylidene)-1H-pyrrole?
The IUPAC name of 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole (CID 123276003) is 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole.
What is the SMILES notation for 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole?
The canonical SMILES for 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole is CC=c1[nH]ccc1=C(F)CC.
What is the InChIKey of 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole?
The InChIKey is WDLZJWBACPYRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-8(10)7-5-6-11-9(7)4-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole?
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole has a molecular weight of 153.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole is sourced from PubChem (CID 123276003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).