1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol

C18H24F4O4S — CID 158659297

IUPAC1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(C(F)(F)S(=O)(=O)c2ccccc2)C1.CC1CC(O)(C(F)F)C1
InChIInChI=1S/C12H14F2O3S.C6H10F2O/c1-9-7-11(15,8-9)12(13,14)18(16,17)10-5-3-2-4-6-10;1-4-2-6(9,3-4)5(7)8/h2-6,9,15H,7-8H2,1H3;4-5,9H,2-3H2,1H3
InChIKeyICNYGQHGKFKVSA-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.63
Rot. Bonds4

About 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol

1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol (PubChem CID 158659297) has the molecular formula C18H24F4O4S and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol
PubChem CID158659297
Molecular FormulaC18H24F4O4S
Molecular Weight412.45 g/mol
Exact Mass412.13
IUPAC Name1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(C(F)(F)S(=O)(=O)c2ccccc2)C1.CC1CC(O)(C(F)F)C1
InChIInChI=1S/C12H14F2O3S.C6H10F2O/c1-9-7-11(15,8-9)12(13,14)18(16,17)10-5-3-2-4-6-10;1-4-2-6(9,3-4)5(7)8/h2-6,9,15H,7-8H2,1H3;4-5,9H,2-3H2,1H3
InChIKeyICNYGQHGKFKVSA-UHFFFAOYSA-N
XLogP3.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol (CID 158659297) is 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol is CC1CC(O)(C(F)(F)S(=O)(=O)c2ccccc2)C1.CC1CC(O)(C(F)F)C1.
What is the InChIKey of 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol?
The InChIKey is ICNYGQHGKFKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3S.C6H10F2O/c1-9-7-11(15,8-9)12(13,14)18(16,17)10-5-3-2-4-6-10;1-4-2-6(9,3-4)5(7)8/h2-6,9,15H,7-8H2,1H3;4-5,9H,2-3H2,1H3.
What are the key properties of 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol?
1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol has a molecular weight of 412.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol is sourced from PubChem (CID 158659297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).