(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone

C12H7Cl2FOS — CID 81480964

IUPAC(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Cl)sc2Cl)c1F
InChIInChI=1S/C12H7Cl2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3
InChIKeyLRFATXQFHYFXFI-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.73
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone

(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone (PubChem CID 81480964) has the molecular formula C12H7Cl2FOS and a molecular weight of 289.16 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
PubChem CID81480964
Molecular FormulaC12H7Cl2FOS
Molecular Weight289.16 g/mol
Exact Mass287.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(Cl)sc2Cl)c1F
InChIInChI=1S/C12H7Cl2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3
InChIKeyLRFATXQFHYFXFI-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone (CID 81480964) is (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)c2cc(Cl)sc2Cl)c1F.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is LRFATXQFHYFXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FOS/c1-6-3-2-4-7(10(6)15)11(16)8-5-9(13)17-12(8)14/h2-5H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone?
(2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 289.16 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 81480964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).