4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene

C11H14F2OS — CID 121427411

IUPAC4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene
SMILESCCOC(C)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2OS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyIUAVHZXYDSAHCL-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.48
Rot. Bonds5

About 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene

4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene (PubChem CID 121427411) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene
PubChem CID121427411
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene
SMILESCCOC(C)CSc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2OS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyIUAVHZXYDSAHCL-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene?
The IUPAC name of 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene (CID 121427411) is 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene is CCOC(C)CSc1ccc(F)c(F)c1.
What is the InChIKey of 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene?
The InChIKey is IUAVHZXYDSAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene?
4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene has a molecular weight of 232.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropylsulfanyl)-1,2-difluorobenzene is sourced from PubChem (CID 121427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).