1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine

C14H14F3NO — CID 82711902

IUPAC1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H14F3NO/c1-10(18-19-9-14(15,16)17)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,18H,9H2,1H3
InChIKeyWEMAASURJVHOMP-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.98
Rot. Bonds4

About 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine

1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711902) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711902
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H14F3NO/c1-10(18-19-9-14(15,16)17)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,18H,9H2,1H3
InChIKeyWEMAASURJVHOMP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711902) is 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WEMAASURJVHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-10(18-19-9-14(15,16)17)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).