1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde

C15H12FNO — CID 122476442

IUPAC1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)N(c1ccc(F)cc1)CC2
InChIInChI=1S/C15H12FNO/c16-13-3-5-14(6-4-13)17-8-7-12-2-1-11(10-18)9-15(12)17/h1-6,9-10H,7-8H2
InChIKeyYTTIWDBEYIDGCB-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.33
Rot. Bonds2

About 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde

1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde (PubChem CID 122476442) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
PubChem CID122476442
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)N(c1ccc(F)cc1)CC2
InChIInChI=1S/C15H12FNO/c16-13-3-5-14(6-4-13)17-8-7-12-2-1-11(10-18)9-15(12)17/h1-6,9-10H,7-8H2
InChIKeyYTTIWDBEYIDGCB-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
2-Fluoro-6-(pyrrolidin-1-yl)benzaldehyde
CID 3822448
4-(1,3-dihydro-2H-isoindol-2-yl)-2-methylbenzaldehyde
CID 807474
2,3-Dihydroindol-1-yl-(2-fluorophenyl)methanone
CID 579820
1-benzoyl-2,3-dihydro-1H-indole
CID 681214
1-(4-Methylbenzoyl)indoline
CID 746888
2,3-Dihydroindol-1-yl-(3-fluorophenyl)methanone
CID 807954
4-(Isoindolin-2-yl)benzaldehyde
CID 969428
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-hydroxybenzamide
CID 135368519
2,3-Dihydroindol-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 2167058
2-(2,5-Dimethylphenyl)isoindolin-1-one
CID 25067464
US10626095, Example 1017
CID 122476064

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde (CID 122476442) is 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde is O=Cc1ccc2c(c1)N(c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde?
The InChIKey is YTTIWDBEYIDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-3-5-14(6-4-13)17-8-7-12-2-1-11(10-18)9-15(12)17/h1-6,9-10H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde?
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde has a molecular weight of 241.27 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde is sourced from PubChem (CID 122476442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).