1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde

C22H17F2NO — CID 10831635

IUPAC1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO/c23-19-6-2-16(3-7-19)22(17-4-8-20(24)9-5-17)25-12-11-18-13-15(14-26)1-10-21(18)25/h1-10,13-14,22H,11-12H2
InChIKeyDLRPDBQHOAHMMG-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.93
Rot. Bonds4

About 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde

1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde (PubChem CID 10831635) has the molecular formula C22H17F2NO and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde
PubChem CID10831635
Molecular FormulaC22H17F2NO
Molecular Weight349.38 g/mol
Exact Mass349.13
IUPAC Name1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17F2NO/c23-19-6-2-16(3-7-19)22(17-4-8-20(24)9-5-17)25-12-11-18-13-15(14-26)1-10-21(18)25/h1-10,13-14,22H,11-12H2
InChIKeyDLRPDBQHOAHMMG-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.93
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 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde (CID 10831635) is 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde is O=Cc1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde?
The InChIKey is DLRPDBQHOAHMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO/c23-19-6-2-16(3-7-19)22(17-4-8-20(24)9-5-17)25-12-11-18-13-15(14-26)1-10-21(18)25/h1-10,13-14,22H,11-12H2.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde?
1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde has a molecular weight of 349.38 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindole-5-carbaldehyde is sourced from PubChem (CID 10831635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).