(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole

C9H12FN — CID 145145162

IUPAC(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole
SMILESC/C=c1/[nH]c(C)c/c1=C(/C)F
InChIInChI=1S/C9H12FN/c1-4-9-8(7(3)10)5-6(2)11-9/h4-5,11H,1-3H3/b8-7+,9-4+
InChIKeyQEERFLQEUDWEBP-UQZXCRFKSA-N
MW153.20 g/mol
LogP1.22
Rot. Bonds

About (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole

(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole (PubChem CID 145145162) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole
PubChem CID145145162
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole
SMILESC/C=c1/[nH]c(C)c/c1=C(/C)F
InChIInChI=1S/C9H12FN/c1-4-9-8(7(3)10)5-6(2)11-9/h4-5,11H,1-3H3/b8-7+,9-4+
InChIKeyQEERFLQEUDWEBP-UQZXCRFKSA-N
XLogP1.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole (CID 145145162) is (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The canonical SMILES for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole is C/C=c1/[nH]c(C)c/c1=C(/C)F.
What is the InChIKey of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The InChIKey is QEERFLQEUDWEBP-UQZXCRFKSA-N. The full InChI is InChI=1S/C9H12FN/c1-4-9-8(7(3)10)5-6(2)11-9/h4-5,11H,1-3H3/b8-7+,9-4+.
What are the key properties of (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole?
(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole has a molecular weight of 153.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-5-methyl-1H-pyrrole is sourced from PubChem (CID 145145162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).