3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione

C20H27F2NO3 — CID 159153985

IUPAC3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione
SMILESO=C1CC(Oc2ccccc2CCCCCCCCCC(F)F)C(=O)N1
InChIInChI=1S/C20H27F2NO3/c21-18(22)13-7-5-3-1-2-4-6-10-15-11-8-9-12-16(15)26-17-14-19(24)23-20(17)25/h8-9,11-12,17-18H,1-7,10,13-14H2,(H,23,24,25)
InChIKeyXSPXRMGKDRACHI-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.41
Rot. Bonds12

About 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione

3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione (PubChem CID 159153985) has the molecular formula C20H27F2NO3 and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione
PubChem CID159153985
Molecular FormulaC20H27F2NO3
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione
SMILESO=C1CC(Oc2ccccc2CCCCCCCCCC(F)F)C(=O)N1
InChIInChI=1S/C20H27F2NO3/c21-18(22)13-7-5-3-1-2-4-6-10-15-11-8-9-12-16(15)26-17-14-19(24)23-20(17)25/h8-9,11-12,17-18H,1-7,10,13-14H2,(H,23,24,25)
InChIKeyXSPXRMGKDRACHI-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 53562440
4-[2-[2-(Trifluoromethyl)phenoxy]propanoylamino]butanamide
CID 53578241
4-[[2-[2-(Trifluoromethyl)phenoxy]acetyl]amino]butanamide
CID 56812704
(3R)-3-[4-(trifluoromethyl)phenoxy]pyrrolidin-2-one
CID 156774493
3-[4-(Trifluoromethyl)phenoxy]pyrrolidin-2-one
CID 166644547
3-(2-Tert-butyl-3,5-difluorophenoxy)-1-methylpyrrolidin-2-one
CID 176703300
N-(3-propan-2-yloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 45861244
N-[3-(2-methoxyethoxy)propyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 53556369
N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55615806
1-[2-[2-(Trifluoromethyl)phenoxy]acetyl]pyrrolidine-3-carboxamide
CID 56813639
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 60265127
3-[4-(2-Aminoethyl)-2-(trifluoromethyl)phenoxy]-1-methylpyrrolidin-2-one
CID 64265261

Frequently Asked Questions

What is the IUPAC name of 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione (CID 159153985) is 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione is O=C1CC(Oc2ccccc2CCCCCCCCCC(F)F)C(=O)N1.
What is the InChIKey of 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione?
The InChIKey is XSPXRMGKDRACHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO3/c21-18(22)13-7-5-3-1-2-4-6-10-15-11-8-9-12-16(15)26-17-14-19(24)23-20(17)25/h8-9,11-12,17-18H,1-7,10,13-14H2,(H,23,24,25).
What are the key properties of 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione?
3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione has a molecular weight of 367.44 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(10,10-difluorodecyl)phenoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 159153985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).