(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone

C13H10ClFOS — CID 81265163

IUPAC(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cccc(Cl)c2F)s1
InChIInChI=1S/C13H10ClFOS/c1-2-8-6-7-11(17-8)13(16)9-4-3-5-10(14)12(9)15/h3-7H,2H2,1H3
InChIKeyPUTHTOCKVDAQKY-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.33
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone

(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 81265163) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
PubChem CID81265163
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cccc(Cl)c2F)s1
InChIInChI=1S/C13H10ClFOS/c1-2-8-6-7-11(17-8)13(16)9-4-3-5-10(14)12(9)15/h3-7H,2H2,1H3
InChIKeyPUTHTOCKVDAQKY-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone (CID 81265163) is (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2cccc(Cl)c2F)s1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is PUTHTOCKVDAQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-2-8-6-7-11(17-8)13(16)9-4-3-5-10(14)12(9)15/h3-7H,2H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone?
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 81265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).