1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO — CID 103215449

IUPAC1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1CCC(C(N)COCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8-2-4-9(5-3-8)10(15)6-16-7-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyJCQWKVONMKOWAR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215449) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215449
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC1CCC(C(N)COCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8-2-4-9(5-3-8)10(15)6-16-7-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyJCQWKVONMKOWAR-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215449) is 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CC1CCC(C(N)COCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is JCQWKVONMKOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-2-4-9(5-3-8)10(15)6-16-7-11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).