6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one

C17H17FO4 — CID 159966896

IUPAC6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
SMILESO=C(CCC1CCCCO1)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C17H17FO4/c18-11-4-7-16-13(9-11)15(20)10-17(22-16)14(19)6-5-12-3-1-2-8-21-12/h4,7,9-10,12H,1-3,5-6,8H2
InChIKeyOEAXEUDAWABEKZ-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.46
Rot. Bonds4

About 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one

6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one (PubChem CID 159966896) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
PubChem CID159966896
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
SMILESO=C(CCC1CCCCO1)c1cc(=O)c2cc(F)ccc2o1
InChIInChI=1S/C17H17FO4/c18-11-4-7-16-13(9-11)15(20)10-17(22-16)14(19)6-5-12-3-1-2-8-21-12/h4,7,9-10,12H,1-3,5-6,8H2
InChIKeyOEAXEUDAWABEKZ-UHFFFAOYSA-N
XLogP3.46
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,3-difluorocyclobutyl)propanoyl]-6-fluorochromen-4-one
CID 161419791
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one?
The IUPAC name of 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one (CID 159966896) is 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one.
What is the SMILES notation for 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one?
The canonical SMILES for 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one is O=C(CCC1CCCCO1)c1cc(=O)c2cc(F)ccc2o1.
What is the InChIKey of 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one?
The InChIKey is OEAXEUDAWABEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c18-11-4-7-16-13(9-11)15(20)10-17(22-16)14(19)6-5-12-3-1-2-8-21-12/h4,7,9-10,12H,1-3,5-6,8H2.
What are the key properties of 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one?
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one has a molecular weight of 304.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one is sourced from PubChem (CID 159966896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).