(3-fluorophenyl) naphthalene-1-carboxylate

C17H11FO2 — CID 2398711

IUPAC(3-fluorophenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1cccc(F)c1)c1cccc2ccccc12
InChIInChI=1S/C17H11FO2/c18-13-7-4-8-14(11-13)20-17(19)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H
InChIKeyYSIGCLZDQDNLPC-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.20
Rot. Bonds2

About (3-fluorophenyl) naphthalene-1-carboxylate

(3-fluorophenyl) naphthalene-1-carboxylate (PubChem CID 2398711) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is (3-fluorophenyl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl) naphthalene-1-carboxylate
PubChem CID2398711
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name(3-fluorophenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1cccc(F)c1)c1cccc2ccccc12
InChIInChI=1S/C17H11FO2/c18-13-7-4-8-14(11-13)20-17(19)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H
InChIKeyYSIGCLZDQDNLPC-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 (3-fluorophenyl) naphthalene-1-carboxylate?
The IUPAC name of (3-fluorophenyl) naphthalene-1-carboxylate (CID 2398711) is (3-fluorophenyl) naphthalene-1-carboxylate.
What is the SMILES notation for (3-fluorophenyl) naphthalene-1-carboxylate?
The canonical SMILES for (3-fluorophenyl) naphthalene-1-carboxylate is O=C(Oc1cccc(F)c1)c1cccc2ccccc12.
What is the InChIKey of (3-fluorophenyl) naphthalene-1-carboxylate?
The InChIKey is YSIGCLZDQDNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-13-7-4-8-14(11-13)20-17(19)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H.
What are the key properties of (3-fluorophenyl) naphthalene-1-carboxylate?
(3-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 (3-fluorophenyl) naphthalene-1-carboxylate is sourced from PubChem (CID 2398711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).