4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde

C10H10FNO — CID 117199903

IUPAC4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde
SMILESCN1CC(C=O)c2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-4,6-7H,5H2,1H3
InChIKeyCQPIDGFJZLDRJJ-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.56
Rot. Bonds1

About 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde

4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde (PubChem CID 117199903) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde
PubChem CID117199903
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde
SMILESCN1CC(C=O)c2c(F)cccc21
InChIInChI=1S/C10H10FNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-4,6-7H,5H2,1H3
InChIKeyCQPIDGFJZLDRJJ-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.56
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

O-[(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117199932
methyl 2-(4-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115033850
(2S)-8-fluoro-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine;sulfane
CID 159298384
1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 174566628
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 114065164
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
CID 162418568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde?
The IUPAC name of 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde (CID 117199903) is 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde is CN1CC(C=O)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde?
The InChIKey is CQPIDGFJZLDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-5-7(6-13)10-8(11)3-2-4-9(10)12/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde?
4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2,3-dihydroindole-3-carbaldehyde is sourced from PubChem (CID 117199903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).