[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine

C10H15F6NO2 — CID 154933101

IUPAC[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CC(OCC(F)(F)F)CC(OC(F)(F)F)C1
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)5-18-7-1-6(4-17)2-8(3-7)19-10(14,15)16/h6-8H,1-5,17H2
InChIKeyRDMNLVWAMJWMIK-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.60
Rot. Bonds4

About [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine

[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine (PubChem CID 154933101) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine
PubChem CID154933101
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CC(OCC(F)(F)F)CC(OC(F)(F)F)C1
InChIInChI=1S/C10H15F6NO2/c11-9(12,13)5-18-7-1-6(4-17)2-8(3-7)19-10(14,15)16/h6-8H,1-5,17H2
InChIKeyRDMNLVWAMJWMIK-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine (CID 154933101) is [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine is NCC1CC(OCC(F)(F)F)CC(OC(F)(F)F)C1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine?
The InChIKey is RDMNLVWAMJWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c11-9(12,13)5-18-7-1-6(4-17)2-8(3-7)19-10(14,15)16/h6-8H,1-5,17H2.
What are the key properties of [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine?
[3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine has a molecular weight of 295.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 154933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).