[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C11H20F3NO — CID 62111252

IUPAC[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyICWZUOBWQRKBEJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds4

About [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62111252) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62111252
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyICWZUOBWQRKBEJ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62111252) is [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CCC1CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is ICWZUOBWQRKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62111252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).