1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one

C14H17FO2 — CID 66364329

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one
SMILESCCCC(=O)CCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c1-2-3-12(16)5-6-13-9-10-8-11(15)4-7-14(10)17-13/h4,7-8,13H,2-3,5-6,9H2,1H3
InChIKeyQRSBGLAPLLKQJW-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one (PubChem CID 66364329) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one
PubChem CID66364329
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one
SMILESCCCC(=O)CCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c1-2-3-12(16)5-6-13-9-10-8-11(15)4-7-14(10)17-13/h4,7-8,13H,2-3,5-6,9H2,1H3
InChIKeyQRSBGLAPLLKQJW-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-propylpropanamide
CID 66365277
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
CID 66364079
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
CID 66361681
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 66364862

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one (CID 66364329) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one is CCCC(=O)CCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one?
The InChIKey is QRSBGLAPLLKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-3-12(16)5-6-13-9-10-8-11(15)4-7-14(10)17-13/h4,7-8,13H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one?
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one has a molecular weight of 236.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one is sourced from PubChem (CID 66364329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).