2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol

C12H14F3NO3S — CID 102707353

IUPAC2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-20(18,19)10-3-2-5-11(10,17)9-7-16-6-4-8(9)12(13,14)15/h4,6-7,10,17H,2-3,5H2,1H3
InChIKeyUVLYWQVLHCOXAO-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.89
Rot. Bonds2

About 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol

2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol (PubChem CID 102707353) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol
PubChem CID102707353
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO3S/c1-20(18,19)10-3-2-5-11(10,17)9-7-16-6-4-8(9)12(13,14)15/h4,6-7,10,17H,2-3,5H2,1H3
InChIKeyUVLYWQVLHCOXAO-UHFFFAOYSA-N
XLogP1.89
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol (CID 102707353) is 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol?
The InChIKey is UVLYWQVLHCOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-20(18,19)10-3-2-5-11(10,17)9-7-16-6-4-8(9)12(13,14)15/h4,6-7,10,17H,2-3,5H2,1H3.
What are the key properties of 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol?
2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol has a molecular weight of 309.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-ol is sourced from PubChem (CID 102707353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).