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

C16H22F2N2 — CID 164923739

IUPAC(2E,3Z)-6-(2,2-difluoropropyl)-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(C)(F)F)C2
InChIInChI=1S/C16H22F2N2/c1-5-7-14-12(6-2)13-8-11(3)20(9-15(13)19-14)10-16(4,17)18/h5-7,11,19H,1,8-10H2,2-4H3/b12-6-,14-7+
InChIKeyDAGJDANKBRSDHI-GQUDHXATSA-N
MW280.36 g/mol
LogP2.18
Rot. Bonds3

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

(2E,3Z)-6-(2,2-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 164923739) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is (2E,3Z)-6-(2,2-difluoropropyl)-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-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
PubChem CID164923739
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name(2E,3Z)-6-(2,2-difluoropropyl)-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(C)(F)F)C2
InChIInChI=1S/C16H22F2N2/c1-5-7-14-12(6-2)13-8-11(3)20(9-15(13)19-14)10-16(4,17)18/h5-7,11,19H,1,8-10H2,2-4H3/b12-6-,14-7+
InChIKeyDAGJDANKBRSDHI-GQUDHXATSA-N
XLogP2.18
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-6-(2,2-difluoropropyl)-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-difluoropropyl)-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-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 164923739) is (2E,3Z)-6-(2,2-difluoropropyl)-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-difluoropropyl)-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-difluoropropyl)-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(C)(F)F)C2.
What is the InChIKey of (2E,3Z)-6-(2,2-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is DAGJDANKBRSDHI-GQUDHXATSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-5-7-14-12(6-2)13-8-11(3)20(9-15(13)19-14)10-16(4,17)18/h5-7,11,19H,1,8-10H2,2-4H3/b12-6-,14-7+.
What are the key properties of (2E,3Z)-6-(2,2-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
(2E,3Z)-6-(2,2-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 280.36 g/mol, XLogP of 2.18, 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-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 164923739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).