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

C10H18F3NOS — CID 116615609

IUPAC1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyUMQUZEUCXKXVSU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.52
Rot. Bonds5

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

1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 116615609) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID116615609
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyUMQUZEUCXKXVSU-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.52
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

1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclohexan-1-ol
CID 60899407
1-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 63227075
1-[(2,2-Difluoroethylamino)methyl]cyclohexan-1-ol
CID 65108633
1-[(4,4,4-Trifluorobutylamino)methyl]cyclohexan-1-ol
CID 79040722
1-[(2,2,3,3-Tetrafluoropropylamino)methyl]cyclohexan-1-ol
CID 106291356
2-Methyl-1-[2-(trifluoromethylsulfanyl)ethylamino]pentan-2-ol
CID 106293157
N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886593
4,4-Dimethyl-1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol
CID 113543859
1-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]cycloheptan-1-ol
CID 113543860
1-[(5,5,5-Trifluoropentylamino)methyl]cyclohexan-1-ol
CID 115496242
4-(2-Methylsulfanylethylamino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 115706173
[1-[2-(Trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
CID 116615536

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol (CID 116615609) is 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol is OC1(CNCCSC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is UMQUZEUCXKXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-8-9(15)4-2-1-3-5-9/h14-15H,1-8H2.
What are the key properties of 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 116615609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).