1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H13F2NO4S — CID 168715679

IUPAC1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccccc1OCCF
InChIInChI=1S/C12H13F2NO4S/c13-5-6-19-11-4-2-1-3-10(11)15-8-9(7-12(15)16)20(14,17)18/h1-4,9H,5-8H2
InChIKeyKPLQNCVCLSBSCT-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.44
Rot. Bonds5

About 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715679) has the molecular formula C12H13F2NO4S and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715679
Molecular FormulaC12H13F2NO4S
Molecular Weight305.30 g/mol
Exact Mass305.05
IUPAC Name1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccccc1OCCF
InChIInChI=1S/C12H13F2NO4S/c13-5-6-19-11-4-2-1-3-10(11)15-8-9(7-12(15)16)20(14,17)18/h1-4,9H,5-8H2
InChIKeyKPLQNCVCLSBSCT-UHFFFAOYSA-N
XLogP1.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
CID 168658012
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
5-oxo-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 168719005
1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715818
1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715672
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712596
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044
4-(aminomethyl)-1-[2-(2,2-difluoroethoxy)phenyl]pyrrolidin-2-one
CID 168660883
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715679) is 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccccc1OCCF.
What is the InChIKey of 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is KPLQNCVCLSBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4S/c13-5-6-19-11-4-2-1-3-10(11)15-8-9(7-12(15)16)20(14,17)18/h1-4,9H,5-8H2.
What are the key properties of 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 305.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).