2-fluoroheptyl 4-hydroxybenzoate

C14H19FO3 — CID 71341169

IUPAC2-fluoroheptyl 4-hydroxybenzoate
SMILESCCCCCC(F)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19FO3/c1-2-3-4-5-12(15)10-18-14(17)11-6-8-13(16)9-7-11/h6-9,12,16H,2-5,10H2,1H3
InChIKeyXJIFKZXKEIQPPU-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.47
Rot. Bonds7

About 2-fluoroheptyl 4-hydroxybenzoate

2-fluoroheptyl 4-hydroxybenzoate (PubChem CID 71341169) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoroheptyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-fluoroheptyl 4-hydroxybenzoate
PubChem CID71341169
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-fluoroheptyl 4-hydroxybenzoate
SMILESCCCCCC(F)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19FO3/c1-2-3-4-5-12(15)10-18-14(17)11-6-8-13(16)9-7-11/h6-9,12,16H,2-5,10H2,1H3
InChIKeyXJIFKZXKEIQPPU-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.47
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-fluorooctyl 4-hydroxybenzoate
CID 14401550
2-decyltetradecyl 4-hydroxybenzoate
CID 22356700
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
[(2S)-2-fluorooctyl] 4-[5-[2-(4-pentylphenyl)ethyl]pyrimidin-2-yl]benzoate
CID 54114202
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
4-(2-fluorooctoxy)phenol
CID 14401559
butane;docosyl 4-hydroxybenzoate
CID 175271638
2-[2-[2-[2-[2-[2-[2-(2-propylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631971
2-fluoroheptyl acetate
CID 24973893
[4-(2-fluorooctoxycarbonyl)phenyl] 4-(6-prop-2-enoxyhexoxy)benzoate
CID 22168360
1,1,1-trifluorodecan-2-yl 4-(4-hydroxyphenyl)benzenecarboperoxoate
CID 139613785
2,6-dimethylheptyl 4-hydroxybenzoate
CID 15176802

Frequently Asked Questions

What is the IUPAC name of 2-fluoroheptyl 4-hydroxybenzoate?
The IUPAC name of 2-fluoroheptyl 4-hydroxybenzoate (CID 71341169) is 2-fluoroheptyl 4-hydroxybenzoate.
What is the SMILES notation for 2-fluoroheptyl 4-hydroxybenzoate?
The canonical SMILES for 2-fluoroheptyl 4-hydroxybenzoate is CCCCCC(F)COC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-fluoroheptyl 4-hydroxybenzoate?
The InChIKey is XJIFKZXKEIQPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-2-3-4-5-12(15)10-18-14(17)11-6-8-13(16)9-7-11/h6-9,12,16H,2-5,10H2,1H3.
What are the key properties of 2-fluoroheptyl 4-hydroxybenzoate?
2-fluoroheptyl 4-hydroxybenzoate has a molecular weight of 254.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroheptyl 4-hydroxybenzoate is sourced from PubChem (CID 71341169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).