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

C11H17F6NO2S — CID 103312161

IUPAC3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
SMILESCS(=O)(=O)C1CCCC(C(N)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H17F6NO2S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9H,2-5,18H2,1H3
InChIKeyYMBHCYVWVIMOIO-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.66
Rot. Bonds3

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

3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312161) has the molecular formula C11H17F6NO2S and a molecular weight of 341.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312161
Molecular FormulaC11H17F6NO2S
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
SMILESCS(=O)(=O)C1CCCC(C(N)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H17F6NO2S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9H,2-5,18H2,1H3
InChIKeyYMBHCYVWVIMOIO-UHFFFAOYSA-N
XLogP2.66
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
1-(3-Methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754242
1-(2-Methylsulfonylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756758
1-(3-Methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757182
1-(2-Methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757982
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061841
3,3,3-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061842
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylpropan-1-amine
CID 80061844
N-ethyl-3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80062024
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071820
4,4,4-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071954
N-ethyl-4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80072074

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine (CID 103312161) is 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine is CS(=O)(=O)C1CCCC(C(N)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-amine?
The InChIKey is YMBHCYVWVIMOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2S/c1-21(19,20)7-4-2-3-6(5-7)8(18)9(10(12,13)14)11(15,16)17/h6-9H,2-5,18H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 341.32 g/mol, XLogP of 2.66, 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-amine is sourced from PubChem (CID 103312161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).