(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole

C11H14FN — CID 167047016

IUPAC(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
SMILESC=C(F)/C=c1\c(=C/C)cc(C)n1C
InChIInChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+
InChIKeySAYAXSKCPVWBOK-JZKFVHIFSA-N
MW179.24 g/mol
LogP1.40
Rot. Bonds1

About (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole

(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole (PubChem CID 167047016) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
PubChem CID167047016
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
SMILESC=C(F)/C=c1\c(=C/C)cc(C)n1C
InChIInChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+
InChIKeySAYAXSKCPVWBOK-JZKFVHIFSA-N
XLogP1.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The IUPAC name of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole (CID 167047016) is (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole.
What is the SMILES notation for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The canonical SMILES for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole is C=C(F)/C=c1\c(=C/C)cc(C)n1C.
What is the InChIKey of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The InChIKey is SAYAXSKCPVWBOK-JZKFVHIFSA-N. The full InChI is InChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+.
What are the key properties of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole has a molecular weight of 179.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole is sourced from PubChem (CID 167047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).