5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one

C14H16F2O3 — CID 103439890

IUPAC5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one
SMILESCC1(CCc2ccc(OC(F)F)cc2)CCC(=O)O1
InChIInChI=1S/C14H16F2O3/c1-14(9-7-12(17)19-14)8-6-10-2-4-11(5-3-10)18-13(15)16/h2-5,13H,6-9H2,1H3
InChIKeyZIRIHVIIVBGAFP-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.32
Rot. Bonds5

About 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one

5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one (PubChem CID 103439890) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one
PubChem CID103439890
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one
SMILESCC1(CCc2ccc(OC(F)F)cc2)CCC(=O)O1
InChIInChI=1S/C14H16F2O3/c1-14(9-7-12(17)19-14)8-6-10-2-4-11(5-3-10)18-13(15)16/h2-5,13H,6-9H2,1H3
InChIKeyZIRIHVIIVBGAFP-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one?
The IUPAC name of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one (CID 103439890) is 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one.
What is the SMILES notation for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one?
The canonical SMILES for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one is CC1(CCc2ccc(OC(F)F)cc2)CCC(=O)O1.
What is the InChIKey of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one?
The InChIKey is ZIRIHVIIVBGAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-14(9-7-12(17)19-14)8-6-10-2-4-11(5-3-10)18-13(15)16/h2-5,13H,6-9H2,1H3.
What are the key properties of 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one?
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one has a molecular weight of 270.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one is sourced from PubChem (CID 103439890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).