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

C10H7ClF4N2O3S — CID 168715768

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF4N2O3S/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(2-8(17)18)21(15,19)20/h1,3,6H,2,4H2
InChIKeyBUHWADJWMRTGKP-UHFFFAOYSA-N
MW346.69 g/mol
LogP2.16
Rot. Bonds2

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715768) has the molecular formula C10H7ClF4N2O3S and a molecular weight of 346.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715768
Molecular FormulaC10H7ClF4N2O3S
Molecular Weight346.69 g/mol
Exact Mass345.98
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF4N2O3S/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(2-8(17)18)21(15,19)20/h1,3,6H,2,4H2
InChIKeyBUHWADJWMRTGKP-UHFFFAOYSA-N
XLogP2.16
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715768) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BUHWADJWMRTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4N2O3S/c11-7-1-5(10(12,13)14)3-16-9(7)17-4-6(2-8(17)18)21(15,19)20/h1,3,6H,2,4H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 346.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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