6-fluoro-1-propan-2-ylindole-2-carbaldehyde

C12H12FNO — CID 117122831

IUPAC6-fluoro-1-propan-2-ylindole-2-carbaldehyde
SMILESCC(C)n1c(C=O)cc2ccc(F)cc21
InChIInChI=1S/C12H12FNO/c1-8(2)14-11(7-15)5-9-3-4-10(13)6-12(9)14/h3-8H,1-2H3
InChIKeySLFGRJPTWGVMFT-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.17
Rot. Bonds2

About 6-fluoro-1-propan-2-ylindole-2-carbaldehyde

6-fluoro-1-propan-2-ylindole-2-carbaldehyde (PubChem CID 117122831) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-ylindole-2-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1-propan-2-ylindole-2-carbaldehyde
PubChem CID117122831
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-1-propan-2-ylindole-2-carbaldehyde
SMILESCC(C)n1c(C=O)cc2ccc(F)cc21
InChIInChI=1S/C12H12FNO/c1-8(2)14-11(7-15)5-9-3-4-10(13)6-12(9)14/h3-8H,1-2H3
InChIKeySLFGRJPTWGVMFT-UHFFFAOYSA-N
XLogP3.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.17
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 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?
The IUPAC name of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde (CID 117122831) is 6-fluoro-1-propan-2-ylindole-2-carbaldehyde.
What is the SMILES notation for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?
The canonical SMILES for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde is CC(C)n1c(C=O)cc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?
The InChIKey is SLFGRJPTWGVMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(2)14-11(7-15)5-9-3-4-10(13)6-12(9)14/h3-8H,1-2H3.
What are the key properties of 6-fluoro-1-propan-2-ylindole-2-carbaldehyde?
6-fluoro-1-propan-2-ylindole-2-carbaldehyde has a molecular weight of 205.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propan-2-ylindole-2-carbaldehyde is sourced from PubChem (CID 117122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).