1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone

C10H11FO2S — CID 65434990

IUPAC1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone
SMILESCOc1cccc(F)c1C(=O)CSC
InChIInChI=1S/C10H11FO2S/c1-13-9-5-3-4-7(11)10(9)8(12)6-14-2/h3-5H,6H2,1-2H3
InChIKeyIGZBGBDGXQJCKS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone

1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone (PubChem CID 65434990) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone
PubChem CID65434990
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone
SMILESCOc1cccc(F)c1C(=O)CSC
InChIInChI=1S/C10H11FO2S/c1-13-9-5-3-4-7(11)10(9)8(12)6-14-2/h3-5H,6H2,1-2H3
InChIKeyIGZBGBDGXQJCKS-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523
CID 158943354
CID 158943354
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
2-fluoro-6-(2-methylsulfanylethoxy)benzoic acid
CID 107013890

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone (CID 65434990) is 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone is COc1cccc(F)c1C(=O)CSC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone?
The InChIKey is IGZBGBDGXQJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-13-9-5-3-4-7(11)10(9)8(12)6-14-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone?
1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone has a molecular weight of 214.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-2-methylsulfanylethanone is sourced from PubChem (CID 65434990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).