2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol

C14H18F2O3S — CID 19804783

IUPAC2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C14H18F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,17H,1,3-4,7-8H2
InChIKeyYVLCFEKYJYKHEN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.99
Rot. Bonds4

About 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol

2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol (PubChem CID 19804783) has the molecular formula C14H18F2O3S and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
PubChem CID19804783
Molecular FormulaC14H18F2O3S
Molecular Weight304.36 g/mol
Exact Mass304.09
IUPAC Name2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)C1CCCCC1
InChIInChI=1S/C14H18F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,17H,1,3-4,7-8H2
InChIKeyYVLCFEKYJYKHEN-UHFFFAOYSA-N
XLogP2.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol (CID 19804783) is 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)C1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol?
The InChIKey is YVLCFEKYJYKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,17H,1,3-4,7-8H2.
What are the key properties of 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol?
2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol has a molecular weight of 304.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol is sourced from PubChem (CID 19804783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).