(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone

C13H11FOS — CID 106876967

IUPAC(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccsc1
InChIInChI=1S/C13H11FOS/c1-8-5-11(14)6-9(2)12(8)13(15)10-3-4-16-7-10/h3-7H,1-2H3
InChIKeyOWPRJQHOFSYARG-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.74
Rot. Bonds2

About (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone

(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone (PubChem CID 106876967) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
PubChem CID106876967
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccsc1
InChIInChI=1S/C13H11FOS/c1-8-5-11(14)6-9(2)12(8)13(15)10-3-4-16-7-10/h3-7H,1-2H3
InChIKeyOWPRJQHOFSYARG-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone (CID 106876967) is (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone is Cc1cc(F)cc(C)c1C(=O)c1ccsc1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone?
The InChIKey is OWPRJQHOFSYARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-8-5-11(14)6-9(2)12(8)13(15)10-3-4-16-7-10/h3-7H,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone?
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone has a molecular weight of 234.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 106876967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).