1-(2-fluoroethoxy)-4-methylsulfinylbenzene

C9H11FO2S — CID 15058664

IUPAC1-(2-fluoroethoxy)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C9H11FO2S/c1-13(11)9-4-2-8(3-5-9)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyOFLMZPNIYUAVEO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-fluoroethoxy)-4-methylsulfinylbenzene

1-(2-fluoroethoxy)-4-methylsulfinylbenzene (PubChem CID 15058664) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-4-methylsulfinylbenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-4-methylsulfinylbenzene
PubChem CID15058664
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name1-(2-fluoroethoxy)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C9H11FO2S/c1-13(11)9-4-2-8(3-5-9)12-7-6-10/h2-5H,6-7H2,1H3
InChIKeyOFLMZPNIYUAVEO-UHFFFAOYSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoroethoxy)benzenesulfinic acid
CID 123969802
1-dodecoxy-4-[(S)-methylsulfinyl]benzene
CID 98141576
2-methyl-7-(4-methylsulfinylphenoxy)heptan-3-one
CID 166471668
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-methylsulfinyl-4-phenylmethoxybenzene
CID 70550112
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
ethane;1-[(2R)-2-methylbutoxy]-4-methylsulfinylbenzene
CID 143417724
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-4-methylsulfinylbenzene?
The IUPAC name of 1-(2-fluoroethoxy)-4-methylsulfinylbenzene (CID 15058664) is 1-(2-fluoroethoxy)-4-methylsulfinylbenzene.
What is the SMILES notation for 1-(2-fluoroethoxy)-4-methylsulfinylbenzene?
The canonical SMILES for 1-(2-fluoroethoxy)-4-methylsulfinylbenzene is CS(=O)c1ccc(OCCF)cc1.
What is the InChIKey of 1-(2-fluoroethoxy)-4-methylsulfinylbenzene?
The InChIKey is OFLMZPNIYUAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-13(11)9-4-2-8(3-5-9)12-7-6-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)-4-methylsulfinylbenzene?
1-(2-fluoroethoxy)-4-methylsulfinylbenzene has a molecular weight of 202.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-4-methylsulfinylbenzene is sourced from PubChem (CID 15058664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).