1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene

C10H13FOS — CID 15058783

IUPAC1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(COCCF)cc1
InChIInChI=1S/C10H13FOS/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-5H,6-8H2,1H3
InChIKeyNTEQEEJWUUYHNO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene

1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene (PubChem CID 15058783) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene
PubChem CID15058783
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(COCCF)cc1
InChIInChI=1S/C10H13FOS/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-5H,6-8H2,1H3
InChIKeyNTEQEEJWUUYHNO-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene?
The IUPAC name of 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene (CID 15058783) is 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene is CSc1ccc(COCCF)cc1.
What is the InChIKey of 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene?
The InChIKey is NTEQEEJWUUYHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-5H,6-8H2,1H3.
What are the key properties of 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene?
1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene has a molecular weight of 200.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxymethyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 15058783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).