3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol

C15H16F3NO2 — CID 78954047

IUPAC3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
SMILESC[C@@H](N)c1ccc2ccccc2c1OCC(O)C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-9(19)11-7-6-10-4-2-3-5-12(10)14(11)21-8-13(20)15(16,17)18/h2-7,9,13,20H,8,19H2,1H3/t9-,13?/m1/s1
InChIKeyINNQCNJNJYPOQZ-CGCSKFHYSA-N
MW299.29 g/mol
LogP3.16
Rot. Bonds4

About 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol (PubChem CID 78954047) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
PubChem CID78954047
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
SMILESC[C@@H](N)c1ccc2ccccc2c1OCC(O)C(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-9(19)11-7-6-10-4-2-3-5-12(10)14(11)21-8-13(20)15(16,17)18/h2-7,9,13,20H,8,19H2,1H3/t9-,13?/m1/s1
InChIKeyINNQCNJNJYPOQZ-CGCSKFHYSA-N
XLogP3.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol (CID 78954047) is 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol is C[C@@H](N)c1ccc2ccccc2c1OCC(O)C(F)(F)F.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is INNQCNJNJYPOQZ-CGCSKFHYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-9(19)11-7-6-10-4-2-3-5-12(10)14(11)21-8-13(20)15(16,17)18/h2-7,9,13,20H,8,19H2,1H3/t9-,13?/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol?
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 299.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 78954047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).