(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate

C14H11F3O2 — CID 164679069

IUPAC(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate
SMILESO=COC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)8-13(19-9-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,13H,8H2
InChIKeyDISFRNNIRZTVPD-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.01
Rot. Bonds4

About (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate

(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate (PubChem CID 164679069) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate.

Molecular Properties

Compound Name(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate
PubChem CID164679069
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate
SMILESO=COC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)8-13(19-9-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,13H,8H2
InChIKeyDISFRNNIRZTVPD-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate?
The IUPAC name of (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate (CID 164679069) is (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate.
What is the SMILES notation for (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate?
The canonical SMILES for (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate is O=COC(CC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate?
The InChIKey is DISFRNNIRZTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)8-13(19-9-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,13H,8H2.
What are the key properties of (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate?
(3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate has a molecular weight of 268.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-1-naphthalen-2-ylpropyl) formate is sourced from PubChem (CID 164679069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).