2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene

C9H11FO2S — CID 22031808

IUPAC2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
SMILESCOCOc1ccc(SC)cc1F
InChIInChI=1S/C9H11FO2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyINZOLOMPXFGYGW-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.53
Rot. Bonds4

About 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene

2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene (PubChem CID 22031808) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
PubChem CID22031808
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
SMILESCOCOc1ccc(SC)cc1F
InChIInChI=1S/C9H11FO2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyINZOLOMPXFGYGW-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-butyl-2-fluoro-1-(methoxymethoxy)benzene
CID 58718899
4-azido-2-fluoro-1-(methoxymethoxy)benzene
CID 150921168
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
CID 24828740
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
2-fluoro-1-(2-fluoro-4-methylsulfanylphenyl)sulfanyl-4-methylsulfanylbenzene
CID 139623422
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
CID 167103502
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
1-fluoro-4-methylsulfanyl-2-propoxybenzene
CID 91657322
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
1,2,5-trifluoro-3-(methoxymethoxy)benzene
CID 67531702

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene (CID 22031808) is 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene is COCOc1ccc(SC)cc1F.
What is the InChIKey of 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene?
The InChIKey is INZOLOMPXFGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-11-6-12-9-4-3-7(13-2)5-8(9)10/h3-5H,6H2,1-2H3.
What are the key properties of 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene?
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene has a molecular weight of 202.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene is sourced from PubChem (CID 22031808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).