3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde

C15H10F3NO — CID 103497651

IUPAC3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
SMILESO=Cc1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-11-2-1-10-3-4-19(14(10)7-11)15-12(17)5-9(8-20)6-13(15)18/h1-2,5-8H,3-4H2
InChIKeyNTJKTZAYUINFEA-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.61
Rot. Bonds2

About 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde

3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde (PubChem CID 103497651) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
PubChem CID103497651
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
SMILESO=Cc1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1
InChIInChI=1S/C15H10F3NO/c16-11-2-1-10-3-4-19(14(10)7-11)15-12(17)5-9(8-20)6-13(15)18/h1-2,5-8H,3-4H2
InChIKeyNTJKTZAYUINFEA-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde?
The IUPAC name of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde (CID 103497651) is 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde is O=Cc1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde?
The InChIKey is NTJKTZAYUINFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-2-1-10-3-4-19(14(10)7-11)15-12(17)5-9(8-20)6-13(15)18/h1-2,5-8H,3-4H2.
What are the key properties of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde?
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde has a molecular weight of 277.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde is sourced from PubChem (CID 103497651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).