1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one

C17H23F2NO2 — CID 176701954

IUPAC1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one
SMILESCCC(C)(C)c1c(F)cc(F)cc1OCCN1CCCC1=O
InChIInChI=1S/C17H23F2NO2/c1-4-17(2,3)16-13(19)10-12(18)11-14(16)22-9-8-20-7-5-6-15(20)21/h10-11H,4-9H2,1-3H3
InChIKeyVENLWACOWMPFKU-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.65
Rot. Bonds6

About 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one

1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 176701954) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one
PubChem CID176701954
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one
SMILESCCC(C)(C)c1c(F)cc(F)cc1OCCN1CCCC1=O
InChIInChI=1S/C17H23F2NO2/c1-4-17(2,3)16-13(19)10-12(18)11-14(16)22-9-8-20-7-5-6-15(20)21/h10-11H,4-9H2,1-3H3
InChIKeyVENLWACOWMPFKU-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
CID 75520371
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
CID 123323957
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
CID 2420777
1-[2-[[2-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-fluorophenyl]-3-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 162511053
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
2-(2-oxopyrrolidin-1-yl)ethyl 2-chloro-2-methylbutanoate
CID 175623661
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one (CID 176701954) is 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one is CCC(C)(C)c1c(F)cc(F)cc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
The InChIKey is VENLWACOWMPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-4-17(2,3)16-13(19)10-12(18)11-14(16)22-9-8-20-7-5-6-15(20)21/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one?
1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 311.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-difluoro-2-(2-methylbutan-2-yl)phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 176701954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).