2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine

C10H18F3NOS — CID 103271278

IUPAC2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NCCOC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-16-9-5-3-2-4-8(9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyDYHNJIQMPZXRCV-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds5

About 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine

2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine (PubChem CID 103271278) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
PubChem CID103271278
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
SMILESCSC1CCCCC1NCCOC(F)(F)F
InChIInChI=1S/C10H18F3NOS/c1-16-9-5-3-2-4-8(9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyDYHNJIQMPZXRCV-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine (CID 103271278) is 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine is CSC1CCCCC1NCCOC(F)(F)F.
What is the InChIKey of 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is DYHNJIQMPZXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-16-9-5-3-2-4-8(9)14-6-7-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine?
2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103271278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).