(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone

C17H11ClF2OS — CID 167440158

IUPAC(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C17H11ClF2OS/c1-8-5-11(20)6-9(2)14(8)16(21)17-15(18)12-4-3-10(19)7-13(12)22-17/h3-7H,1-2H3
InChIKeyRXFQYAVNPSYOKS-UHFFFAOYSA-N
MW336.79 g/mol
LogP5.68
Rot. Bonds2

About (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone

(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone (PubChem CID 167440158) has the molecular formula C17H11ClF2OS and a molecular weight of 336.79 g/mol. Its IUPAC name is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
PubChem CID167440158
Molecular FormulaC17H11ClF2OS
Molecular Weight336.79 g/mol
Exact Mass336.02
IUPAC Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C17H11ClF2OS/c1-8-5-11(20)6-9(2)14(8)16(21)17-15(18)12-4-3-10(19)7-13(12)22-17/h3-7H,1-2H3
InChIKeyRXFQYAVNPSYOKS-UHFFFAOYSA-N
XLogP5.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.79
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone (CID 167440158) is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone is Cc1cc(F)cc(C)c1C(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The InChIKey is RXFQYAVNPSYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2OS/c1-8-5-11(20)6-9(2)14(8)16(21)17-15(18)12-4-3-10(19)7-13(12)22-17/h3-7H,1-2H3.
What are the key properties of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone has a molecular weight of 336.79 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 167440158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).