5-fluoro-2-nonoxybenzoic acid

C16H23FO3 — CID 115297915

IUPAC5-fluoro-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1ccc(F)cc1C(=O)O
InChIInChI=1S/C16H23FO3/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(17)12-14(15)16(18)19/h9-10,12H,2-8,11H2,1H3,(H,18,19)
InChIKeyVLXSLNXYKDKKHT-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.65
Rot. Bonds10

About 5-fluoro-2-nonoxybenzoic acid

5-fluoro-2-nonoxybenzoic acid (PubChem CID 115297915) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is 5-fluoro-2-nonoxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-nonoxybenzoic acid
PubChem CID115297915
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Name5-fluoro-2-nonoxybenzoic acid
SMILESCCCCCCCCCOc1ccc(F)cc1C(=O)O
InChIInChI=1S/C16H23FO3/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(17)12-14(15)16(18)19/h9-10,12H,2-8,11H2,1H3,(H,18,19)
InChIKeyVLXSLNXYKDKKHT-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
5-methyl-2-nonoxybenzoic acid
CID 63463067
2,5-didodecoxybenzoic acid
CID 168826367
5-bromo-2-nonoxybenzoic acid
CID 43129492
5-iodo-2-pentoxybenzoic acid
CID 82996012
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181
2-[4-(diethylamino)-4-oxobutoxy]-5-fluorobenzoic acid
CID 115298048
2,5-dipentoxyterephthalic acid;dihydrochloride
CID 70289838

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nonoxybenzoic acid?
The IUPAC name of 5-fluoro-2-nonoxybenzoic acid (CID 115297915) is 5-fluoro-2-nonoxybenzoic acid.
What is the SMILES notation for 5-fluoro-2-nonoxybenzoic acid?
The canonical SMILES for 5-fluoro-2-nonoxybenzoic acid is CCCCCCCCCOc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-nonoxybenzoic acid?
The InChIKey is VLXSLNXYKDKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(17)12-14(15)16(18)19/h9-10,12H,2-8,11H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-nonoxybenzoic acid?
5-fluoro-2-nonoxybenzoic acid has a molecular weight of 282.36 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nonoxybenzoic acid is sourced from PubChem (CID 115297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).