lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide

C10H10F2LiO5S- — CID 169053976

IUPAClithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide
SMILESO=[C-]c1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1.[Li+].[OH-]
InChIInChI=1S/C10H9F2O4S.Li.H2O/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9;;/h1-2,7H,3-4,6H2;;1H2/q-1;+1;/p-1
InChIKeyWOAWGNCTACVFEV-UHFFFAOYSA-M
MW287.19 g/mol
LogP-1.62
Rot. Bonds4

About lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide

lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide (PubChem CID 169053976) has the molecular formula C10H10F2LiO5S- and a molecular weight of 287.19 g/mol. Its IUPAC name is lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide.

Molecular Properties

Compound Namelithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide
PubChem CID169053976
Molecular FormulaC10H10F2LiO5S-
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Namelithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide
SMILESO=[C-]c1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1.[Li+].[OH-]
InChIInChI=1S/C10H9F2O4S.Li.H2O/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9;;/h1-2,7H,3-4,6H2;;1H2/q-1;+1;/p-1
InChIKeyWOAWGNCTACVFEV-UHFFFAOYSA-M
XLogP-1.62
TPSA94.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide?
The IUPAC name of lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide (CID 169053976) is lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide.
What is the SMILES notation for lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide?
The canonical SMILES for lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide is O=[C-]c1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1.[Li+].[OH-].
What is the InChIKey of lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide?
The InChIKey is WOAWGNCTACVFEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9F2O4S.Li.H2O/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9;;/h1-2,7H,3-4,6H2;;1H2/q-1;+1;/p-1.
What are the key properties of lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide?
lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide has a molecular weight of 287.19 g/mol, XLogP of -1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide is sourced from PubChem (CID 169053976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).