4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde

C16H14FNO — CID 103497669

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H14FNO/c1-11-8-12(10-19)2-5-15(11)18-7-6-13-3-4-14(17)9-16(13)18/h2-5,8-10H,6-7H2,1H3
InChIKeyQDQQTKUNWVYKBO-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.64
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde

4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde (PubChem CID 103497669) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
PubChem CID103497669
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H14FNO/c1-11-8-12(10-19)2-5-15(11)18-7-6-13-3-4-14(17)9-16(13)18/h2-5,8-10H,6-7H2,1H3
InChIKeyQDQQTKUNWVYKBO-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.64
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

3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
CID 103497651
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
CID 122476442
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
CID 103494011
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
3-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 3144104
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde (CID 103497669) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1N1CCc2ccc(F)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde?
The InChIKey is QDQQTKUNWVYKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-8-12(10-19)2-5-15(11)18-7-6-13-3-4-14(17)9-16(13)18/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde?
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde has a molecular weight of 255.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzaldehyde is sourced from PubChem (CID 103497669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).