1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one

C17H13FOS — CID 114962863

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H13FOS/c18-14-8-7-13-10-17(20-16(13)11-14)15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2
InChIKeyBZSSFKHDLKDUDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.86
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one

1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one (PubChem CID 114962863) has the molecular formula C17H13FOS and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
PubChem CID114962863
Molecular FormulaC17H13FOS
Molecular Weight284.36 g/mol
Exact Mass284.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H13FOS/c18-14-8-7-13-10-17(20-16(13)11-14)15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2
InChIKeyBZSSFKHDLKDUDD-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 29199446
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
1-(1-benzothiophen-2-yl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968220

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one (CID 114962863) is 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one?
The InChIKey is BZSSFKHDLKDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FOS/c18-14-8-7-13-10-17(20-16(13)11-14)15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one?
1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one has a molecular weight of 284.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 114962863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).