1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone

C13H14FNO2 — CID 138614064

IUPAC1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(OC(C)C)cc(F)c21
InChIInChI=1S/C13H14FNO2/c1-8(2)17-11-6-10-4-5-15(9(3)16)13(10)12(14)7-11/h4-8H,1-3H3
InChIKeyWRFQQHSEGHDZIS-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.23
Rot. Bonds2

About 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone

1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone (PubChem CID 138614064) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone
PubChem CID138614064
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone
SMILESCC(=O)n1ccc2cc(OC(C)C)cc(F)c21
InChIInChI=1S/C13H14FNO2/c1-8(2)17-11-6-10-4-5-15(9(3)16)13(10)12(14)7-11/h4-8H,1-3H3
InChIKeyWRFQQHSEGHDZIS-UHFFFAOYSA-N
XLogP3.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(difluoromethoxy)indol-1-yl]ethanone
CID 141341359
tert-butyl 7-fluoro-5-iodoindole-1-carboxylate
CID 66802356
trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
CID 65202687
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
1-fluoro-2-iodo-4-propan-2-yloxybenzene
CID 131606959
ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate
CID 155796862
1-(5-methoxy-6-methylsulfanylindol-1-yl)ethanone
CID 71072893

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone?
The IUPAC name of 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone (CID 138614064) is 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone?
The canonical SMILES for 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone is CC(=O)n1ccc2cc(OC(C)C)cc(F)c21.
What is the InChIKey of 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone?
The InChIKey is WRFQQHSEGHDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(2)17-11-6-10-4-5-15(9(3)16)13(10)12(14)7-11/h4-8H,1-3H3.
What are the key properties of 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone?
1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone has a molecular weight of 235.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5-propan-2-yloxyindol-1-yl)ethanone is sourced from PubChem (CID 138614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).