(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C16H9ClF2OS — CID 81115002

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccc(F)cc3s2)c(Cl)cc1F
InChIInChI=1S/C16H9ClF2OS/c1-8-4-11(12(17)7-13(8)19)16(20)15-5-9-2-3-10(18)6-14(9)21-15/h2-7H,1H3
InChIKeyUGGYGVMTVVYKIJ-UHFFFAOYSA-N
MW322.76 g/mol
LogP5.37
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 81115002) has the molecular formula C16H9ClF2OS and a molecular weight of 322.76 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID81115002
Molecular FormulaC16H9ClF2OS
Molecular Weight322.76 g/mol
Exact Mass322.00
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccc(F)cc3s2)c(Cl)cc1F
InChIInChI=1S/C16H9ClF2OS/c1-8-4-11(12(17)7-13(8)19)16(20)15-5-9-2-3-10(18)6-14(9)21-15/h2-7H,1H3
InChIKeyUGGYGVMTVVYKIJ-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.76
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106647478
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
(2-chloro-4,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 107475859
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 81115002) is (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is Cc1cc(C(=O)c2cc3ccc(F)cc3s2)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is UGGYGVMTVVYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2OS/c1-8-4-11(12(17)7-13(8)19)16(20)15-5-9-2-3-10(18)6-14(9)21-15/h2-7H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 322.76 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 81115002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).