(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole

C11H16FN — CID 144831865

IUPAC(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
SMILESCC/C=c1\c(=C(/C)F)cc(C)n1C
InChIInChI=1S/C11H16FN/c1-5-6-11-10(9(3)12)7-8(2)13(11)4/h6-7H,5H2,1-4H3/b10-9+,11-6+
InChIKeyVYUGFTHGYCVXEI-HUJSXLBNSA-N
MW181.25 g/mol
LogP1.62
Rot. Bonds1

About (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole

(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole (PubChem CID 144831865) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole.

Molecular Properties

Compound Name(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
PubChem CID144831865
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
SMILESCC/C=c1\c(=C(/C)F)cc(C)n1C
InChIInChI=1S/C11H16FN/c1-5-6-11-10(9(3)12)7-8(2)13(11)4/h6-7H,5H2,1-4H3/b10-9+,11-6+
InChIKeyVYUGFTHGYCVXEI-HUJSXLBNSA-N
XLogP1.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole?
The IUPAC name of (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole (CID 144831865) is (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole.
What is the SMILES notation for (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole?
The canonical SMILES for (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole is CC/C=c1\c(=C(/C)F)cc(C)n1C.
What is the InChIKey of (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole?
The InChIKey is VYUGFTHGYCVXEI-HUJSXLBNSA-N. The full InChI is InChI=1S/C11H16FN/c1-5-6-11-10(9(3)12)7-8(2)13(11)4/h6-7H,5H2,1-4H3/b10-9+,11-6+.
What are the key properties of (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole?
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole has a molecular weight of 181.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole is sourced from PubChem (CID 144831865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).