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

C9H15ClF3NS — CID 116618109

IUPAC2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCCC1Cl
InChIInChI=1S/C9H15ClF3NS/c10-7-3-1-2-4-8(7)14-5-6-15-9(11,12)13/h7-8,14H,1-6H2
InChIKeyIKSJXPKBTOLAJI-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.38
Rot. Bonds4

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

2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 116618109) has the molecular formula C9H15ClF3NS and a molecular weight of 261.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID116618109
Molecular FormulaC9H15ClF3NS
Molecular Weight261.74 g/mol
Exact Mass261.06
IUPAC Name2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)SCCNC1CCCCC1Cl
InChIInChI=1S/C9H15ClF3NS/c10-7-3-1-2-4-8(7)14-5-6-15-9(11,12)13/h7-8,14H,1-6H2
InChIKeyIKSJXPKBTOLAJI-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65025550
2-chloro-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 65025897
2-chloro-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65026066
2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 102637498
5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 107319895
6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 107845658
4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116618098
5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116618130
4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-2-amine
CID 116618175
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116618176
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116618192
2-chloro-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 116103716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 116618109) is 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is FC(F)(F)SCCNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is IKSJXPKBTOLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NS/c10-7-3-1-2-4-8(7)14-5-6-15-9(11,12)13/h7-8,14H,1-6H2.
What are the key properties of 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 261.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 116618109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).