5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde

C10H10F2O4S — CID 169053977

IUPAC5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1
InChIInChI=1S/C10H10F2O4S/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9/h1-2,5,7H,3-4,6H2
InChIKeyIICOPUORSWCOON-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.91
Rot. Bonds4

About 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde

5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde (PubChem CID 169053977) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde
PubChem CID169053977
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Name5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1
InChIInChI=1S/C10H10F2O4S/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9/h1-2,5,7H,3-4,6H2
InChIKeyIICOPUORSWCOON-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde (CID 169053977) is 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde is O=Cc1ccc(S(=O)(=O)CC2CC(F)(F)C2)o1.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde?
The InChIKey is IICOPUORSWCOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4S/c11-10(12)3-7(4-10)6-17(14,15)9-2-1-8(5-13)16-9/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde?
5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde has a molecular weight of 264.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde is sourced from PubChem (CID 169053977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).