4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol

C11H20F3NOS — CID 116615610

IUPAC4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NOS/c1-9-2-4-10(16,5-3-9)8-15-6-7-17-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyZRWBQKCXXYPNBS-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol

4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 116615610) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID116615610
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NOS/c1-9-2-4-10(16,5-3-9)8-15-6-7-17-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyZRWBQKCXXYPNBS-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 64757554
CID 64757554
CID 64757555
CID 64757555
CID 65116492
CID 65116492
CID 65118159
CID 65118159
CID 65118731
CID 65118731
CID 65120642
CID 65120642
CID 65121189
CID 65121189
CID 80694535
CID 80694535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol (CID 116615610) is 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNCCSC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZRWBQKCXXYPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-9-2-4-10(16,5-3-9)8-15-6-7-17-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 271.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 116615610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).