4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one

C19H25F2NO3 — CID 23614633

IUPAC4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(OCCC3CCCCC3)c2)CN1
InChIInChI=1S/C19H25F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h6-7,10,13,15,19H,1-5,8-9,11-12H2,(H,22,23)
InChIKeySRMJEJMASAKOGF-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.24
Rot. Bonds7

About 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one

4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 23614633) has the molecular formula C19H25F2NO3 and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID23614633
Molecular FormulaC19H25F2NO3
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC Name4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(OCCC3CCCCC3)c2)CN1
InChIInChI=1S/C19H25F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h6-7,10,13,15,19H,1-5,8-9,11-12H2,(H,22,23)
InChIKeySRMJEJMASAKOGF-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one (CID 23614633) is 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one is O=C1CC(c2ccc(OC(F)F)c(OCCC3CCCCC3)c2)CN1.
What is the InChIKey of 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is SRMJEJMASAKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO3/c20-19(21)25-16-7-6-14(15-11-18(23)22-12-15)10-17(16)24-9-8-13-4-2-1-3-5-13/h6-7,10,13,15,19H,1-5,8-9,11-12H2,(H,22,23).
What are the key properties of 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one?
4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 353.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclohexylethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 23614633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).