3-fluorobutyl naphthalene-2-carboxylate

C15H15FO2 — CID 154715188

IUPAC3-fluorobutyl naphthalene-2-carboxylate
SMILESCC(F)CCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15FO2/c1-11(16)8-9-18-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3
InChIKeyRUIGFIQWTPCSLN-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.74
Rot. Bonds4

About 3-fluorobutyl naphthalene-2-carboxylate

3-fluorobutyl naphthalene-2-carboxylate (PubChem CID 154715188) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-fluorobutyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name3-fluorobutyl naphthalene-2-carboxylate
PubChem CID154715188
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name3-fluorobutyl naphthalene-2-carboxylate
SMILESCC(F)CCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15FO2/c1-11(16)8-9-18-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3
InChIKeyRUIGFIQWTPCSLN-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobutyl naphthalene-2-carboxylate?
The IUPAC name of 3-fluorobutyl naphthalene-2-carboxylate (CID 154715188) is 3-fluorobutyl naphthalene-2-carboxylate.
What is the SMILES notation for 3-fluorobutyl naphthalene-2-carboxylate?
The canonical SMILES for 3-fluorobutyl naphthalene-2-carboxylate is CC(F)CCOC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-fluorobutyl naphthalene-2-carboxylate?
The InChIKey is RUIGFIQWTPCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-11(16)8-9-18-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-fluorobutyl naphthalene-2-carboxylate?
3-fluorobutyl naphthalene-2-carboxylate has a molecular weight of 246.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutyl naphthalene-2-carboxylate is sourced from PubChem (CID 154715188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).