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

C10H19F3N2O — CID 79121247

IUPAC4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C10H19F3N2O/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3
InChIKeyGHTCWTOWDFJBAH-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.72
Rot. Bonds4

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

4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79121247) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79121247
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C10H19F3N2O/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3
InChIKeyGHTCWTOWDFJBAH-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (CID 79121247) is 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is CN(CCOC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is GHTCWTOWDFJBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-15(6-7-16-10(11,12)13)9-4-2-8(14)3-5-9/h8-9H,2-7,14H2,1H3.
What are the key properties of 4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.72, 4 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-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).