2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane

C17H16F2O2S — CID 18786432

IUPAC2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(-c3ccc(SC(F)F)cc3)cc2)OCCO1
InChIInChI=1S/C17H16F2O2S/c1-17(20-10-11-21-17)14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16(18)19/h2-9,16H,10-11H2,1H3
InChIKeyWAGBOWJMPWUDCO-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.89
Rot. Bonds4

About 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane

2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane (PubChem CID 18786432) has the molecular formula C17H16F2O2S and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane
PubChem CID18786432
Molecular FormulaC17H16F2O2S
Molecular Weight322.38 g/mol
Exact Mass322.08
IUPAC Name2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(-c3ccc(SC(F)F)cc3)cc2)OCCO1
InChIInChI=1S/C17H16F2O2S/c1-17(20-10-11-21-17)14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16(18)19/h2-9,16H,10-11H2,1H3
InChIKeyWAGBOWJMPWUDCO-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane (CID 18786432) is 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane is CC1(c2ccc(-c3ccc(SC(F)F)cc3)cc2)OCCO1.
What is the InChIKey of 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is WAGBOWJMPWUDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2S/c1-17(20-10-11-21-17)14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16(18)19/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane?
2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 322.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 18786432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).