1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

C15H16FNO2 — CID 65154926

IUPAC1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FNO2/c16-10-3-5-12-13(9-17-14(12)8-10)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyIZKSGBHELZUSRS-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.45
Rot. Bonds4

About 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65154926) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65154926
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H16FNO2/c16-10-3-5-12-13(9-17-14(12)8-10)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyIZKSGBHELZUSRS-UHFFFAOYSA-N
XLogP3.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154973
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
6-amino-N-[2-(oxolan-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61126926
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124705140
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154683
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 81045032
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 65154926) is 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is IZKSGBHELZUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-10-3-5-12-13(9-17-14(12)8-10)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 261.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).