4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C10H18F3NOS — CID 104527108

IUPAC4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-15-9-4-2-8(3-5-9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNRMPOIKTFJXYCY-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds5

About 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 104527108) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID104527108
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCOC1CCC(NCCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-15-9-4-2-8(3-5-9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNRMPOIKTFJXYCY-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 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 104527108) is 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is COC1CCC(NCCSC(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is NRMPOIKTFJXYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-15-9-4-2-8(3-5-9)14-6-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
4-methoxy-N-[2-(trifluoromethylsulfanyl)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 4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 104527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).