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

C10H18F3NO — CID 62620489

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESNC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-6-9(14)4-2-1-3-5-9/h1-8,14H2
InChIKeyJHSISXZOMHLTDQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62620489) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62620489
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESNC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-6-9(14)4-2-1-3-5-9/h1-8,14H2
InChIKeyJHSISXZOMHLTDQ-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62620489) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is NC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is JHSISXZOMHLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-7-6-9(14)4-2-1-3-5-9/h1-8,14H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62620489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).