(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

C15H20F2N2 — CID 164923952

IUPAC(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)F)C2
InChIInChI=1S/C15H20F2N2/c1-4-6-13-11(5-2)12-7-10(3)19(9-15(16)17)8-14(12)18-13/h4-6,10,15,18H,1,7-9H2,2-3H3/b11-5-,13-6+
InChIKeyBSOZQQFNYKWBDJ-FALRLRKYSA-N
MW266.34 g/mol
LogP1.79
Rot. Bonds3

About (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine

(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 164923952) has the molecular formula C15H20F2N2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID164923952
Molecular FormulaC15H20F2N2
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESC=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)F)C2
InChIInChI=1S/C15H20F2N2/c1-4-6-13-11(5-2)12-7-10(3)19(9-15(16)17)8-14(12)18-13/h4-6,10,15,18H,1,7-9H2,2-3H3/b11-5-,13-6+
InChIKeyBSOZQQFNYKWBDJ-FALRLRKYSA-N
XLogP1.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 164923952) is (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is C=C/C=c1/[nH]c2c(/c1=C/C)CC(C)N(CC(F)F)C2.
What is the InChIKey of (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is BSOZQQFNYKWBDJ-FALRLRKYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-4-6-13-11(5-2)12-7-10(3)19(9-15(16)17)8-14(12)18-13/h4-6,10,15,18H,1,7-9H2,2-3H3/b11-5-,13-6+.
What are the key properties of (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 266.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-6-(2,2-difluoroethyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164923952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).