2-fluorooctyl 4-hydroxybenzoate

C15H21FO3 — CID 14401550

IUPAC2-fluorooctyl 4-hydroxybenzoate
SMILESCCCCCCC(F)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21FO3/c1-2-3-4-5-6-13(16)11-19-15(18)12-7-9-14(17)10-8-12/h7-10,13,17H,2-6,11H2,1H3
InChIKeyBGSOIHDNGJTTCV-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.86
Rot. Bonds8

About 2-fluorooctyl 4-hydroxybenzoate

2-fluorooctyl 4-hydroxybenzoate (PubChem CID 14401550) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-fluorooctyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-fluorooctyl 4-hydroxybenzoate
PubChem CID14401550
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name2-fluorooctyl 4-hydroxybenzoate
SMILESCCCCCCC(F)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21FO3/c1-2-3-4-5-6-13(16)11-19-15(18)12-7-9-14(17)10-8-12/h7-10,13,17H,2-6,11H2,1H3
InChIKeyBGSOIHDNGJTTCV-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroheptyl 4-hydroxybenzoate
CID 71341169
2-decyltetradecyl 4-hydroxybenzoate
CID 22356700
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
4-(2-fluorooctoxy)phenol
CID 14401559
[(2S)-2-fluorooctyl] 4-[5-[2-(4-pentylphenyl)ethyl]pyrimidin-2-yl]benzoate
CID 54114202
butane;docosyl 4-hydroxybenzoate
CID 175271638
[4-(2-fluorooctoxycarbonyl)phenyl] 4-(6-prop-2-enoxyhexoxy)benzoate
CID 22168360
1,1,1-trifluorodecan-2-yl 4-(4-hydroxyphenyl)benzenecarboperoxoate
CID 139613785
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
3,5-ditert-butylhexadecyl 4-hydroxybenzoate
CID 57236154
2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631971

Frequently Asked Questions

What is the IUPAC name of 2-fluorooctyl 4-hydroxybenzoate?
The IUPAC name of 2-fluorooctyl 4-hydroxybenzoate (CID 14401550) is 2-fluorooctyl 4-hydroxybenzoate.
What is the SMILES notation for 2-fluorooctyl 4-hydroxybenzoate?
The canonical SMILES for 2-fluorooctyl 4-hydroxybenzoate is CCCCCCC(F)COC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-fluorooctyl 4-hydroxybenzoate?
The InChIKey is BGSOIHDNGJTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-2-3-4-5-6-13(16)11-19-15(18)12-7-9-14(17)10-8-12/h7-10,13,17H,2-6,11H2,1H3.
What are the key properties of 2-fluorooctyl 4-hydroxybenzoate?
2-fluorooctyl 4-hydroxybenzoate has a molecular weight of 268.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorooctyl 4-hydroxybenzoate is sourced from PubChem (CID 14401550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).