[(1R)-1-(4-fluorophenyl)ethyl] hexanoate

C14H19FO2 — CID 132573494

IUPAC[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
SMILESCCCCCC(=O)O[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-3-4-5-6-14(16)17-11(2)12-7-9-13(15)10-8-12/h7-11H,3-6H2,1-2H3/t11-/m1/s1
InChIKeySTUQXFKPCZJXOR-LLVKDONJSA-N
MW238.30 g/mol
LogP4.01
Rot. Bonds6

About [(1R)-1-(4-fluorophenyl)ethyl] hexanoate

[(1R)-1-(4-fluorophenyl)ethyl] hexanoate (PubChem CID 132573494) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl] hexanoate.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
PubChem CID132573494
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
SMILESCCCCCC(=O)O[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-3-4-5-6-14(16)17-11(2)12-7-9-13(15)10-8-12/h7-11H,3-6H2,1-2H3/t11-/m1/s1
InChIKeySTUQXFKPCZJXOR-LLVKDONJSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 54.01
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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Related Compounds

5-O-[1-(4-fluorophenyl)ethyl] 1-O-heptyl pentanedioate
CID 91711814
4-(1-decanoyloxyethyl)benzoic acid
CID 14675895
1-[4-(4-butoxyphenyl)phenyl]ethyl dodecanoate
CID 139694035
1-[4-(4-butoxyphenyl)phenyl]ethyl tridecanoate
CID 139693676
1-(4-sulfamoylphenyl)ethyl tetradecanoate
CID 139816764
1-[4-(4-tridecoxyphenyl)phenyl]ethyl undecanoate
CID 139693507
1-[4-(2-phenylphenyl)phenyl]ethyl undecanoate
CID 139693617
1-[4-(4-octoxyphenyl)phenyl]ethyl hexanoate
CID 14323892
1-[4-(4-pentoxyphenyl)phenyl]ethyl dodecanoate
CID 139693483
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate
CID 174434661
1-(4-fluorophenyl)ethyl 5-amino-4-oxopentanoate;hydrochloride
CID 174434660
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] hexanoate?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl] hexanoate (CID 132573494) is [(1R)-1-(4-fluorophenyl)ethyl] hexanoate.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl] hexanoate?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl] hexanoate is CCCCCC(=O)O[C@H](C)c1ccc(F)cc1.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl] hexanoate?
The InChIKey is STUQXFKPCZJXOR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19FO2/c1-3-4-5-6-14(16)17-11(2)12-7-9-13(15)10-8-12/h7-11H,3-6H2,1-2H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl] hexanoate?
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate has a molecular weight of 238.30 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl] hexanoate is sourced from PubChem (CID 132573494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).