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

C10H17ClF3NO — CID 65025668

IUPAC2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NO/c11-8-3-1-2-4-9(8)15-5-6-16-7-10(12,13)14/h8-9,15H,1-7H2
InChIKeyZJDZVTVFOLSDAJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.70
Rot. Bonds5

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

2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 65025668) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID65025668
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESFC(F)(F)COCCNC1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NO/c11-8-3-1-2-4-9(8)15-5-6-16-7-10(12,13)14/h8-9,15H,1-7H2
InChIKeyZJDZVTVFOLSDAJ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 65025668) is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is FC(F)(F)COCCNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is ZJDZVTVFOLSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c11-8-3-1-2-4-9(8)15-5-6-16-7-10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 259.70 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65025668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).