(4-fluorophenyl) naphthalene-1-carboxylate

C17H11FO2 — CID 14664714

IUPAC(4-fluorophenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H11FO2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyQNOLIVPFSBWVRU-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.20
Rot. Bonds2

About (4-fluorophenyl) naphthalene-1-carboxylate

(4-fluorophenyl) naphthalene-1-carboxylate (PubChem CID 14664714) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is (4-fluorophenyl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) naphthalene-1-carboxylate
PubChem CID14664714
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name(4-fluorophenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C17H11FO2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyQNOLIVPFSBWVRU-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) naphthalene-1-carboxylate?
The IUPAC name of (4-fluorophenyl) naphthalene-1-carboxylate (CID 14664714) is (4-fluorophenyl) naphthalene-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) naphthalene-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) naphthalene-1-carboxylate is O=C(Oc1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of (4-fluorophenyl) naphthalene-1-carboxylate?
The InChIKey is QNOLIVPFSBWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H.
What are the key properties of (4-fluorophenyl) naphthalene-1-carboxylate?
(4-fluorophenyl) naphthalene-1-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) naphthalene-1-carboxylate is sourced from PubChem (CID 14664714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).