(5-fluoronaphthalen-1-yl) formate

C11H7FO2 — CID 57195526

IUPAC(5-fluoronaphthalen-1-yl) formate
SMILESO=COc1cccc2c(F)cccc12
InChIInChI=1S/C11H7FO2/c12-10-5-1-4-9-8(10)3-2-6-11(9)14-7-13/h1-7H
InChIKeyAMSCJFKHVWFZKC-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.51
Rot. Bonds2

About (5-fluoronaphthalen-1-yl) formate

(5-fluoronaphthalen-1-yl) formate (PubChem CID 57195526) has the molecular formula C11H7FO2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (5-fluoronaphthalen-1-yl) formate.

Molecular Properties

Compound Name(5-fluoronaphthalen-1-yl) formate
PubChem CID57195526
Molecular FormulaC11H7FO2
Molecular Weight190.17 g/mol
Exact Mass190.04
IUPAC Name(5-fluoronaphthalen-1-yl) formate
SMILESO=COc1cccc2c(F)cccc12
InChIInChI=1S/C11H7FO2/c12-10-5-1-4-9-8(10)3-2-6-11(9)14-7-13/h1-7H
InChIKeyAMSCJFKHVWFZKC-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.51
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 (5-fluoronaphthalen-1-yl) formate?
The IUPAC name of (5-fluoronaphthalen-1-yl) formate (CID 57195526) is (5-fluoronaphthalen-1-yl) formate.
What is the SMILES notation for (5-fluoronaphthalen-1-yl) formate?
The canonical SMILES for (5-fluoronaphthalen-1-yl) formate is O=COc1cccc2c(F)cccc12.
What is the InChIKey of (5-fluoronaphthalen-1-yl) formate?
The InChIKey is AMSCJFKHVWFZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2/c12-10-5-1-4-9-8(10)3-2-6-11(9)14-7-13/h1-7H.
What are the key properties of (5-fluoronaphthalen-1-yl) formate?
(5-fluoronaphthalen-1-yl) formate has a molecular weight of 190.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoronaphthalen-1-yl) formate is sourced from PubChem (CID 57195526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).