trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane

C7H13FO2S — CID 15122106

IUPACtrans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHDQKLNKNEMASTK-RNFRBKRXSA-N
MW180.24 g/mol
LogP1.31
Rot. Bonds1

About trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane

trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane (PubChem CID 15122106) has the molecular formula C7H13FO2S and a molecular weight of 180.24 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
PubChem CID15122106
Molecular FormulaC7H13FO2S
Molecular Weight180.24 g/mol
Exact Mass180.06
IUPAC Nametrans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyHDQKLNKNEMASTK-RNFRBKRXSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane 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 trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane (CID 15122106) is trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane is CS(=O)(=O)[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane?
The InChIKey is HDQKLNKNEMASTK-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13FO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane?
trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane has a molecular weight of 180.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane is sourced from PubChem (CID 15122106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).