[(E)-1-fluorodec-2-en-4-yl] benzoate

C17H23FO2 — CID 12015067

IUPAC[(E)-1-fluorodec-2-en-4-yl] benzoate
SMILESCCCCCCC(/C=C/CF)OC(=O)c1ccccc1
InChIInChI=1S/C17H23FO2/c1-2-3-4-8-12-16(13-9-14-18)20-17(19)15-10-6-5-7-11-15/h5-7,9-11,13,16H,2-4,8,12,14H2,1H3/b13-9+
InChIKeyFICKLJVJNHDUHI-UKTHLTGXSA-N
MW278.37 g/mol
LogP4.71
Rot. Bonds9

About [(E)-1-fluorodec-2-en-4-yl] benzoate

[(E)-1-fluorodec-2-en-4-yl] benzoate (PubChem CID 12015067) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is [(E)-1-fluorodec-2-en-4-yl] benzoate.

Molecular Properties

Compound Name[(E)-1-fluorodec-2-en-4-yl] benzoate
PubChem CID12015067
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name[(E)-1-fluorodec-2-en-4-yl] benzoate
SMILESCCCCCCC(/C=C/CF)OC(=O)c1ccccc1
InChIInChI=1S/C17H23FO2/c1-2-3-4-8-12-16(13-9-14-18)20-17(19)15-10-6-5-7-11-15/h5-7,9-11,13,16H,2-4,8,12,14H2,1H3/b13-9+
InChIKeyFICKLJVJNHDUHI-UKTHLTGXSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,4R)-1,1-dimethoxyundec-2-en-4-yl] benzoate
CID 10854198
[(Z)-1-oxooctadec-9-en-2-yl] benzoate
CID 89296568
1-hydroxydecyl benzoate
CID 54112556
1,1,1-trifluorododecan-2-yl benzoate
CID 139882514
decan-4-yl benzoate
CID 13141769
1-phenylhexyl benzoate
CID 57263824
octan-3-yl benzoate
CID 12820016
2-aminodecyl benzoate
CID 141308993
[(E,3S)-1-[3-(8-methoxy-8-oxooctyl)oxiran-2-yl]oct-1-en-3-yl] benzoate
CID 135066312
(1-methoxy-1-oxoheptan-2-yl) benzoate
CID 13122642
[(2R,4S,6S,8S)-4,6,8-trimethyltetracosan-2-yl] benzoate
CID 122231048
[(1R)-1-dimethoxyphosphoryldodecyl] benzoate
CID 102395340

Frequently Asked Questions

What is the IUPAC name of [(E)-1-fluorodec-2-en-4-yl] benzoate?
The IUPAC name of [(E)-1-fluorodec-2-en-4-yl] benzoate (CID 12015067) is [(E)-1-fluorodec-2-en-4-yl] benzoate.
What is the SMILES notation for [(E)-1-fluorodec-2-en-4-yl] benzoate?
The canonical SMILES for [(E)-1-fluorodec-2-en-4-yl] benzoate is CCCCCCC(/C=C/CF)OC(=O)c1ccccc1.
What is the InChIKey of [(E)-1-fluorodec-2-en-4-yl] benzoate?
The InChIKey is FICKLJVJNHDUHI-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H23FO2/c1-2-3-4-8-12-16(13-9-14-18)20-17(19)15-10-6-5-7-11-15/h5-7,9-11,13,16H,2-4,8,12,14H2,1H3/b13-9+.
What are the key properties of [(E)-1-fluorodec-2-en-4-yl] benzoate?
[(E)-1-fluorodec-2-en-4-yl] benzoate has a molecular weight of 278.37 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluorodec-2-en-4-yl] benzoate is sourced from PubChem (CID 12015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).