1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone

C15H8ClFOS — CID 107998244

IUPAC1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1csc2ccccc12
InChIInChI=1S/C15H8ClFOS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8H
InChIKeyULEDNWLOIHKUPY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.92
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone

1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone (PubChem CID 107998244) has the molecular formula C15H8ClFOS and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
PubChem CID107998244
Molecular FormulaC15H8ClFOS
Molecular Weight290.75 g/mol
Exact Mass290.00
IUPAC Name1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1csc2ccccc12
InChIInChI=1S/C15H8ClFOS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8H
InChIKeyULEDNWLOIHKUPY-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 113395873
1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
CID 114023487
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107998276
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
2-[4-(1-benzothiophene-3-carbonylamino)-2-(3-fluoro-4-methoxybenzoyl)anilino]-2-oxoacetic acid
CID 70687505
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
1-(1-benzothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998605
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79593248

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone (CID 107998244) is 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone is O=C(c1ccc(Cl)c(F)c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone?
The InChIKey is ULEDNWLOIHKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFOS/c16-12-6-5-9(7-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8H.
What are the key properties of 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone?
1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone has a molecular weight of 290.75 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 107998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).