5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane

C34H30F6N4O3 — CID 172606579

IUPAC5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
SMILESCC.COC.NNC(=O)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.O=Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H10F3N3O.C15H8F3NO.C2H6O.C2H6/c16-8-3-1-7(2-4-8)13-12(15(22)21-19)10-5-9(17)6-11(18)14(10)20-13;16-9-3-1-8(2-4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14;1-3-2;1-2/h1-6,20H,19H2,(H,21,22);1-7,19H;1-2H3;1-2H3
InChIKeyHGVSBKCGGNKYBB-UHFFFAOYSA-N
MW656.63 g/mol
LogP8.21
Rot. Bonds4

About 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane

5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane (PubChem CID 172606579) has the molecular formula C34H30F6N4O3 and a molecular weight of 656.63 g/mol. Its IUPAC name is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane.

Molecular Properties

Compound Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
PubChem CID172606579
Molecular FormulaC34H30F6N4O3
Molecular Weight656.63 g/mol
Exact Mass656.22
IUPAC Name5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
SMILESCC.COC.NNC(=O)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.O=Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C15H10F3N3O.C15H8F3NO.C2H6O.C2H6/c16-8-3-1-7(2-4-8)13-12(15(22)21-19)10-5-9(17)6-11(18)14(10)20-13;16-9-3-1-8(2-4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14;1-3-2;1-2/h1-6,20H,19H2,(H,21,22);1-7,19H;1-2H3;1-2H3
InChIKeyHGVSBKCGGNKYBB-UHFFFAOYSA-N
XLogP8.21
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.63
LogP ≤ 58.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane?
The IUPAC name of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane (CID 172606579) is 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane.
What is the SMILES notation for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane?
The canonical SMILES for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane is CC.COC.NNC(=O)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.O=Cc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane?
The InChIKey is HGVSBKCGGNKYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O.C15H8F3NO.C2H6O.C2H6/c16-8-3-1-7(2-4-8)13-12(15(22)21-19)10-5-9(17)6-11(18)14(10)20-13;16-9-3-1-8(2-4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14;1-3-2;1-2/h1-6,20H,19H2,(H,21,22);1-7,19H;1-2H3;1-2H3.
What are the key properties of 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane?
5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane has a molecular weight of 656.63 g/mol, XLogP of 8.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane is sourced from PubChem (CID 172606579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).