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

C14H22F3NO — CID 16785317

IUPAC1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-19-7-12(18)13-4-9-1-10(5-13)3-11(2-9)6-13/h9-12H,1-8,18H2
InChIKeyIMUDRRDFNQKRID-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.11
Rot. Bonds4

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

1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16785317) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16785317
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-19-7-12(18)13-4-9-1-10(5-13)3-11(2-9)6-13/h9-12H,1-8,18H2
InChIKeyIMUDRRDFNQKRID-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16785317) is 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IMUDRRDFNQKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)8-19-7-12(18)13-4-9-1-10(5-13)3-11(2-9)6-13/h9-12H,1-8,18H2.
What are the key properties of 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 277.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16785317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).