[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol

C11H19F3O3S — CID 67249606

IUPAC[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol
SMILESO=S(=O)(CCC(F)(F)F)CC1CCC(CO)CC1
InChIInChI=1S/C11H19F3O3S/c12-11(13,14)5-6-18(16,17)8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2
InChIKeyJAOOMWSWBMPDLF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.15
Rot. Bonds5

About [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol

[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol (PubChem CID 67249606) has the molecular formula C11H19F3O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol
PubChem CID67249606
Molecular FormulaC11H19F3O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol
SMILESO=S(=O)(CCC(F)(F)F)CC1CCC(CO)CC1
InChIInChI=1S/C11H19F3O3S/c12-11(13,14)5-6-18(16,17)8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2
InChIKeyJAOOMWSWBMPDLF-UHFFFAOYSA-N
XLogP2.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dibromoethenyl)-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
CID 59378315
1,1-difluoro-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
CID 59378281
methyl 5-[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]pent-4-ynoate
CID 59378273
[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 57070298
4,4-dimethylpentylsulfonylmethylcyclopropane
CID 159579445
propylsulfonylmethylcyclopropane
CID 20644601
CID 176962041
CID 176962041
2-prop-2-ynyl-5-(3,3,3-trifluoropropylsulfonylmethyl)oxolane
CID 87394741
[4-(ethylsulfonylmethyl)cyclohexyl]methanol;methane;methyl 4-(ethylsulfonylmethyl)cyclohexane-1-carboxylate
CID 167579871
4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522645
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
4-(cyclopentylmethylsulfonyl)-2,2-dimethylbutanenitrile
CID 65262986

Frequently Asked Questions

What is the IUPAC name of [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol?
The IUPAC name of [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol (CID 67249606) is [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol is O=S(=O)(CCC(F)(F)F)CC1CCC(CO)CC1.
What is the InChIKey of [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol?
The InChIKey is JAOOMWSWBMPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3S/c12-11(13,14)5-6-18(16,17)8-10-3-1-9(7-15)2-4-10/h9-10,15H,1-8H2.
What are the key properties of [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol?
[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol has a molecular weight of 288.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 67249606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).