[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol

C10H18F3NOS — CID 116615536

IUPAC[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
SMILESOCC1(NCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-9(8-15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyUXYURTOWEMDHIU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.52
Rot. Bonds5

About [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol

[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol (PubChem CID 116615536) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
PubChem CID116615536
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol
SMILESOCC1(NCCSC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-9(8-15)4-2-1-3-5-9/h14-15H,1-8H2
InChIKeyUXYURTOWEMDHIU-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

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CID 62520970
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
1-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutane-1-carboxylic acid
CID 116616834
[1-(hept-6-enylamino)cyclohexyl]methanol
CID 107006791
4-[[1-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylbutanamide
CID 62522036
[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
CID 102977850
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
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[1-(2-ethoxyethylamino)cyclohexyl]methanol
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3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol (CID 116615536) is [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol is OCC1(NCCSC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol?
The InChIKey is UXYURTOWEMDHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c11-10(12,13)16-7-6-14-9(8-15)4-2-1-3-5-9/h14-15H,1-8H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclohexyl]methanol 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]cyclohexyl]methanol is sourced from PubChem (CID 116615536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).