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

C12H7Cl2FOS — CID 62516010

IUPAC(2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl2FOS/c1-6-2-3-9(15)7(4-6)11(16)8-5-10(13)17-12(8)14/h2-5H,1H3
InChIKeyCCHFEVYYYUVUQX-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.73
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 62516010) 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-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID62516010
Molecular FormulaC12H7Cl2FOS
Molecular Weight289.16 g/mol
Exact Mass287.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl2FOS/c1-6-2-3-9(15)7(4-6)11(16)8-5-10(13)17-12(8)14/h2-5H,1H3
InChIKeyCCHFEVYYYUVUQX-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-5-methylphenyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone (CID 62516010) is (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is CCHFEVYYYUVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FOS/c1-6-2-3-9(15)7(4-6)11(16)8-5-10(13)17-12(8)14/h2-5H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanone?
(2,5-dichlorothiophen-3-yl)-(2-fluoro-5-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-5-methylphenyl)methanone is sourced from PubChem (CID 62516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).