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

C11H21F3N2O — CID 79121493

IUPAC4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2O/c1-16(6-7-17-8-11(12,13)14)10-4-2-9(15)3-5-10/h9-10H,2-8,15H2,1H3
InChIKeyWMTQWZJDBYRZTG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds5

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

4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79121493) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79121493
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2O/c1-16(6-7-17-8-11(12,13)14)10-4-2-9(15)3-5-10/h9-10H,2-8,15H2,1H3
InChIKeyWMTQWZJDBYRZTG-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
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-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine (CID 79121493) is 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine is CN(CCOCC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is WMTQWZJDBYRZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(6-7-17-8-11(12,13)14)10-4-2-9(15)3-5-10/h9-10H,2-8,15H2,1H3.
What are the key properties of 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).