4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane

C13H16F2O2 — CID 156750267

IUPAC4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
SMILESCOc1c(C2COC(C)C2C)ccc(F)c1F
InChIInChI=1S/C13H16F2O2/c1-7-8(2)17-6-10(7)9-4-5-11(14)12(15)13(9)16-3/h4-5,7-8,10H,6H2,1-3H3
InChIKeyHOFZXDSKBQSDQS-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.11
Rot. Bonds2

About 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane

4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane (PubChem CID 156750267) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane.

Molecular Properties

Compound Name4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
PubChem CID156750267
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
SMILESCOc1c(C2COC(C)C2C)ccc(F)c1F
InChIInChI=1S/C13H16F2O2/c1-7-8(2)17-6-10(7)9-4-5-11(14)12(15)13(9)16-3/h4-5,7-8,10H,6H2,1-3H3
InChIKeyHOFZXDSKBQSDQS-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane?
The IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane (CID 156750267) is 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane.
What is the SMILES notation for 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane?
The canonical SMILES for 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane is COc1c(C2COC(C)C2C)ccc(F)c1F.
What is the InChIKey of 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane?
The InChIKey is HOFZXDSKBQSDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-7-8(2)17-6-10(7)9-4-5-11(14)12(15)13(9)16-3/h4-5,7-8,10H,6H2,1-3H3.
What are the key properties of 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane?
4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane has a molecular weight of 242.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane is sourced from PubChem (CID 156750267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).