4-fluoropentyl naphthalene-2-carboxylate

C16H17FO2 — CID 154713380

IUPAC4-fluoropentyl naphthalene-2-carboxylate
SMILESCC(F)CCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17FO2/c1-12(17)5-4-10-19-16(18)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyWQCRNFLVUOUPBP-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.13
Rot. Bonds5

About 4-fluoropentyl naphthalene-2-carboxylate

4-fluoropentyl naphthalene-2-carboxylate (PubChem CID 154713380) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoropentyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name4-fluoropentyl naphthalene-2-carboxylate
PubChem CID154713380
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name4-fluoropentyl naphthalene-2-carboxylate
SMILESCC(F)CCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H17FO2/c1-12(17)5-4-10-19-16(18)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyWQCRNFLVUOUPBP-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropentyl naphthalene-2-carboxylate?
The IUPAC name of 4-fluoropentyl naphthalene-2-carboxylate (CID 154713380) is 4-fluoropentyl naphthalene-2-carboxylate.
What is the SMILES notation for 4-fluoropentyl naphthalene-2-carboxylate?
The canonical SMILES for 4-fluoropentyl naphthalene-2-carboxylate is CC(F)CCCOC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-fluoropentyl naphthalene-2-carboxylate?
The InChIKey is WQCRNFLVUOUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-12(17)5-4-10-19-16(18)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-9,11-12H,4-5,10H2,1H3.
What are the key properties of 4-fluoropentyl naphthalene-2-carboxylate?
4-fluoropentyl naphthalene-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentyl naphthalene-2-carboxylate is sourced from PubChem (CID 154713380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).