(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole

C10H12FN — CID 167213690

IUPAC(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
SMILESC=c1cc(C)[nH]/c1=C/C=C(\C)F
InChIInChI=1S/C10H12FN/c1-7-6-9(3)12-10(7)5-4-8(2)11/h4-6,12H,1H2,2-3H3/b8-4+,10-5+
InChIKeyFQFARZDQSJVRHA-DXNUHORPSA-N
MW165.21 g/mol
LogP1.39
Rot. Bonds1

About (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole

(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole (PubChem CID 167213690) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
PubChem CID167213690
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
SMILESC=c1cc(C)[nH]/c1=C/C=C(\C)F
InChIInChI=1S/C10H12FN/c1-7-6-9(3)12-10(7)5-4-8(2)11/h4-6,12H,1H2,2-3H3/b8-4+,10-5+
InChIKeyFQFARZDQSJVRHA-DXNUHORPSA-N
XLogP1.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole (CID 167213690) is (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole.
What is the SMILES notation for (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The canonical SMILES for (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole is C=c1cc(C)[nH]/c1=C/C=C(\C)F.
What is the InChIKey of (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The InChIKey is FQFARZDQSJVRHA-DXNUHORPSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-6-9(3)12-10(7)5-4-8(2)11/h4-6,12H,1H2,2-3H3/b8-4+,10-5+.
What are the key properties of (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
(2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole has a molecular weight of 165.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-fluorobut-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole is sourced from PubChem (CID 167213690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).