1-(5-fluoro-1H-indol-2-yl)propan-1-one

C11H10FNO — CID 58125971

IUPAC1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO/c1-2-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyXEJDHMHKHVNUFX-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-fluoro-1H-indol-2-yl)propan-1-one

1-(5-fluoro-1H-indol-2-yl)propan-1-one (PubChem CID 58125971) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)propan-1-one
PubChem CID58125971
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO/c1-2-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyXEJDHMHKHVNUFX-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)propan-1-one (CID 58125971) is 1-(5-fluoro-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)propan-1-one is CCC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The InChIKey is XEJDHMHKHVNUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)propan-1-one?
1-(5-fluoro-1H-indol-2-yl)propan-1-one has a molecular weight of 191.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 58125971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).