3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol

C11H16F6O3S — CID 103312584

IUPAC3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol
SMILESCS(=O)(=O)C1CCCC(C(O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H16F6O3S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9,18H,2-5H2,1H3
InChIKeyIARWKMIGSUYTNW-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.69
Rot. Bonds3

About 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol

3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312584) has the molecular formula C11H16F6O3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol
PubChem CID103312584
Molecular FormulaC11H16F6O3S
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol
SMILESCS(=O)(=O)C1CCCC(C(O)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H16F6O3S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9,18H,2-5H2,1H3
InChIKeyIARWKMIGSUYTNW-UHFFFAOYSA-N
XLogP2.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,3-Difluorobutylsulfonylmethyl)cyclohexyl]methanol
CID 59378323
trans-(1R,2R)-5-(difluoromethylsulfonyl)-2-methylcyclohexan-1-ol
CID 177300255
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 80060553
2,2,2-Trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 80061029
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 80063240
1-(3-Methylsulfonylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147431
3-(2,2-Difluoroethoxy)-1-(3-methylsulfonylcyclohexyl)propan-1-ol
CID 103147710
1-(3-Methylsulfonylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216985
1-(3-Methylsulfonylcyclohexyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473949
(1S)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373677
(1R)-2,2,2-trifluoro-1-(3-methylsulfonylcyclohexyl)ethanol
CID 104373908
4-Methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105082569

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol (CID 103312584) is 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol is CS(=O)(=O)C1CCCC(C(O)C(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol?
The InChIKey is IARWKMIGSUYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O3S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9,18H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol?
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol has a molecular weight of 342.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).