(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde

C10H8FNO — CID 126422158

IUPAC(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde
SMILESC[C@H]1N=c2cc(F)ccc2=C1C=O
InChIInChI=1S/C10H8FNO/c1-6-9(5-13)8-3-2-7(11)4-10(8)12-6/h2-6H,1H3/t6-/m1/s1
InChIKeyQQIDCFJGFISIGU-ZCFIWIBFSA-N
MW177.18 g/mol
LogP0.20
Rot. Bonds1

About (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde

(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde (PubChem CID 126422158) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde
PubChem CID126422158
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde
SMILESC[C@H]1N=c2cc(F)ccc2=C1C=O
InChIInChI=1S/C10H8FNO/c1-6-9(5-13)8-3-2-7(11)4-10(8)12-6/h2-6H,1H3/t6-/m1/s1
InChIKeyQQIDCFJGFISIGU-ZCFIWIBFSA-N
XLogP0.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 50.20
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 (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde?
The IUPAC name of (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde (CID 126422158) is (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde.
What is the SMILES notation for (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde?
The canonical SMILES for (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde is C[C@H]1N=c2cc(F)ccc2=C1C=O.
What is the InChIKey of (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde?
The InChIKey is QQIDCFJGFISIGU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-9(5-13)8-3-2-7(11)4-10(8)12-6/h2-6H,1H3/t6-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde?
(2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-methyl-2H-indole-3-carbaldehyde is sourced from PubChem (CID 126422158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).