1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol

C19H15F3O2 — CID 162396937

IUPAC1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3O2/c20-19(21,22)18(23,16-8-2-1-3-9-16)13-24-17-11-10-14-6-4-5-7-15(14)12-17/h1-12,23H,13H2
InChIKeyFLAOLWSVYXQEQP-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.67
Rot. Bonds4

About 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol

1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol (PubChem CID 162396937) has the molecular formula C19H15F3O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol
PubChem CID162396937
Molecular FormulaC19H15F3O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H15F3O2/c20-19(21,22)18(23,16-8-2-1-3-9-16)13-24-17-11-10-14-6-4-5-7-15(14)12-17/h1-12,23H,13H2
InChIKeyFLAOLWSVYXQEQP-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol (CID 162396937) is 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol is OC(COc1ccc2ccccc2c1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol?
The InChIKey is FLAOLWSVYXQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O2/c20-19(21,22)18(23,16-8-2-1-3-9-16)13-24-17-11-10-14-6-4-5-7-15(14)12-17/h1-12,23H,13H2.
What are the key properties of 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol?
1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol has a molecular weight of 332.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-naphthalen-2-yloxy-2-phenylpropan-2-ol is sourced from PubChem (CID 162396937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).