2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol

C9H15F3O3S — CID 65049715

IUPAC2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)CCC(F)(F)F
InChIInChI=1S/C9H15F3O3S/c1-16(14,15)7-3-2-4-8(7,13)5-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyDLRLXUOAEJICJK-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.66
Rot. Bonds3

About 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol

2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol (PubChem CID 65049715) has the molecular formula C9H15F3O3S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol
PubChem CID65049715
Molecular FormulaC9H15F3O3S
Molecular Weight260.28 g/mol
Exact Mass260.07
IUPAC Name2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)CCC(F)(F)F
InChIInChI=1S/C9H15F3O3S/c1-16(14,15)7-3-2-4-8(7,13)5-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyDLRLXUOAEJICJK-UHFFFAOYSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol (CID 65049715) is 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)CCC(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol?
The InChIKey is DLRLXUOAEJICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O3S/c1-16(14,15)7-3-2-4-8(7,13)5-6-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol?
2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol has a molecular weight of 260.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(3,3,3-trifluoropropyl)cyclopentan-1-ol is sourced from PubChem (CID 65049715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).