1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone

C16H12FNO — CID 130459975

IUPAC1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)cc1
InChIInChI=1S/C16H12FNO/c1-10(19)11-2-4-12(5-3-11)14-8-13-6-7-18-16(13)9-15(14)17/h2-9,18H,1H3
InChIKeyXDOHXANWQDXHDN-UHFFFAOYSA-N
MW253.28 g/mol
LogP4.18
Rot. Bonds2

About 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone

1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone (PubChem CID 130459975) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone
PubChem CID130459975
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)cc1
InChIInChI=1S/C16H12FNO/c1-10(19)11-2-4-12(5-3-11)14-8-13-6-7-18-16(13)9-15(14)17/h2-9,18H,1H3
InChIKeyXDOHXANWQDXHDN-UHFFFAOYSA-N
XLogP4.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone (CID 130459975) is 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)cc1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone?
The InChIKey is XDOHXANWQDXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10(19)11-2-4-12(5-3-11)14-8-13-6-7-18-16(13)9-15(14)17/h2-9,18H,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone?
1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone has a molecular weight of 253.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indol-5-yl)phenyl]ethanone is sourced from PubChem (CID 130459975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).