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

C16H13F2NO — CID 63051201

IUPAC3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
SMILESCC1Cc2ccccc2N1c1c(F)cc(C=O)cc1F
InChIInChI=1S/C16H13F2NO/c1-10-6-12-4-2-3-5-15(12)19(10)16-13(17)7-11(9-20)8-14(16)18/h2-5,7-10H,6H2,1H3
InChIKeyNHGITWZXSXRUKQ-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.86
Rot. Bonds2

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

3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde (PubChem CID 63051201) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
PubChem CID63051201
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde
SMILESCC1Cc2ccccc2N1c1c(F)cc(C=O)cc1F
InChIInChI=1S/C16H13F2NO/c1-10-6-12-4-2-3-5-15(12)19(10)16-13(17)7-11(9-20)8-14(16)18/h2-5,7-10H,6H2,1H3
InChIKeyNHGITWZXSXRUKQ-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.86
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

2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784738
1-(4-formyl-2,6-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-carbaldehyde
CID 141036872
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
CID 141029511
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 92723325
(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 78939271
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 102815035

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde?
The IUPAC name of 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde (CID 63051201) is 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde is CC1Cc2ccccc2N1c1c(F)cc(C=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde?
The InChIKey is NHGITWZXSXRUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-10-6-12-4-2-3-5-15(12)19(10)16-13(17)7-11(9-20)8-14(16)18/h2-5,7-10H,6H2,1H3.
What are the key properties of 3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde?
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde has a molecular weight of 273.28 g/mol, XLogP of 3.86, 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-(2-methyl-2,3-dihydroindol-1-yl)benzaldehyde is sourced from PubChem (CID 63051201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).