2-fluoro-2-(1H-indol-5-yl)propanal

C11H10FNO — CID 174565115

IUPAC2-fluoro-2-(1H-indol-5-yl)propanal
SMILESCC(F)(C=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10FNO/c1-11(12,7-14)9-2-3-10-8(6-9)4-5-13-10/h2-7,13H,1H3
InChIKeyRQTYLJOIPXWRNH-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.55
Rot. Bonds2

About 2-fluoro-2-(1H-indol-5-yl)propanal

2-fluoro-2-(1H-indol-5-yl)propanal (PubChem CID 174565115) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-2-(1H-indol-5-yl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(1H-indol-5-yl)propanal
PubChem CID174565115
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-fluoro-2-(1H-indol-5-yl)propanal
SMILESCC(F)(C=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H10FNO/c1-11(12,7-14)9-2-3-10-8(6-9)4-5-13-10/h2-7,13H,1H3
InChIKeyRQTYLJOIPXWRNH-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-5-yl)-2-methylpropan-1-amine
CID 116996128
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
1-(4-chlorophenyl)-1-(1H-indol-5-yl)ethanol
CID 81444906
3-(1H-indol-5-yl)-2-methylpentan-3-ol
CID 81444815
tert-butyl formate;5-iodo-1H-indole
CID 174574290
2-[4-(1H-indol-5-yl)phenyl]-2-methylpropanoic acid
CID 82039803
tert-butyl formate;1-(1H-indol-5-yl)ethanone
CID 174513916
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
tert-butyl formate;5-nitro-1H-indole
CID 175288118
1H-indol-5-ol;2,2,2-trifluoroacetic acid
CID 162071647
5-fluoro-1H-indole;molecular fluorine
CID 123133815
2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 81436881

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1H-indol-5-yl)propanal?
The IUPAC name of 2-fluoro-2-(1H-indol-5-yl)propanal (CID 174565115) is 2-fluoro-2-(1H-indol-5-yl)propanal.
What is the SMILES notation for 2-fluoro-2-(1H-indol-5-yl)propanal?
The canonical SMILES for 2-fluoro-2-(1H-indol-5-yl)propanal is CC(F)(C=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-fluoro-2-(1H-indol-5-yl)propanal?
The InChIKey is RQTYLJOIPXWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-11(12,7-14)9-2-3-10-8(6-9)4-5-13-10/h2-7,13H,1H3.
What are the key properties of 2-fluoro-2-(1H-indol-5-yl)propanal?
2-fluoro-2-(1H-indol-5-yl)propanal has a molecular weight of 191.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1H-indol-5-yl)propanal is sourced from PubChem (CID 174565115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).