1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO — CID 103216096

IUPAC1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h9-10H,1-8,15H2
InChIKeyAFQKYIQMWFTWCO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds4

About 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216096) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216096
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h9-10H,1-8,15H2
InChIKeyAFQKYIQMWFTWCO-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 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216096) is 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AFQKYIQMWFTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h9-10H,1-8,15H2.
What are the key properties of 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine 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 1-cycloheptyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).