4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine

C12H23F3N2O — CID 79116141

IUPAC4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-17(7-8-18-9-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3
InChIKeyGAXAUAWUFARDQX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds6

About 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79116141) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79116141
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-17(7-8-18-9-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3
InChIKeyGAXAUAWUFARDQX-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
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-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine (CID 79116141) is 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine is CCN(CCOCC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is GAXAUAWUFARDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-17(7-8-18-9-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3.
What are the key properties of 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79116141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).