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

C11H8ClF4NO3S — CID 168716062

IUPAC1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C11H8ClF4NO3S/c12-7-2-1-3-8(10(7)11(13,14)15)17-5-6(4-9(17)18)21(16,19)20/h1-3,6H,4-5H2
InChIKeyDUPRYNLUKXIOMQ-UHFFFAOYSA-N
MW345.70 g/mol
LogP2.76
Rot. Bonds2

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

1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716062) has the molecular formula C11H8ClF4NO3S and a molecular weight of 345.70 g/mol. Its IUPAC name is 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716062
Molecular FormulaC11H8ClF4NO3S
Molecular Weight345.70 g/mol
Exact Mass344.98
IUPAC Name1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C11H8ClF4NO3S/c12-7-2-1-3-8(10(7)11(13,14)15)17-5-6(4-9(17)18)21(16,19)20/h1-3,6H,4-5H2
InChIKeyDUPRYNLUKXIOMQ-UHFFFAOYSA-N
XLogP2.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
4-chloro-1-[3-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168689796
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712610

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716062) is 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is DUPRYNLUKXIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO3S/c12-7-2-1-3-8(10(7)11(13,14)15)17-5-6(4-9(17)18)21(16,19)20/h1-3,6H,4-5H2.
What are the key properties of 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 345.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).