(14S)-15-bromo-14-fluoropentadecanoic acid

C15H28BrFO2 — CID 98040458

IUPAC(14S)-15-bromo-14-fluoropentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCC[C@H](F)CBr
InChIInChI=1S/C15H28BrFO2/c16-13-14(17)11-9-7-5-3-1-2-4-6-8-10-12-15(18)19/h14H,1-13H2,(H,18,19)/t14-/m0/s1
InChIKeyLLNNDRIUZRRTDB-AWEZNQCLSA-N
MW339.29 g/mol
LogP5.49
Rot. Bonds14

About (14S)-15-bromo-14-fluoropentadecanoic acid

(14S)-15-bromo-14-fluoropentadecanoic acid (PubChem CID 98040458) has the molecular formula C15H28BrFO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is (14S)-15-bromo-14-fluoropentadecanoic acid.

Molecular Properties

Compound Name(14S)-15-bromo-14-fluoropentadecanoic acid
PubChem CID98040458
Molecular FormulaC15H28BrFO2
Molecular Weight339.29 g/mol
Exact Mass338.13
IUPAC Name(14S)-15-bromo-14-fluoropentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCC[C@H](F)CBr
InChIInChI=1S/C15H28BrFO2/c16-13-14(17)11-9-7-5-3-1-2-4-6-8-10-12-15(18)19/h14H,1-13H2,(H,18,19)/t14-/m0/s1
InChIKeyLLNNDRIUZRRTDB-AWEZNQCLSA-N
XLogP5.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (14S)-15-bromo-14-fluoropentadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
7,8-dihydroxyhexadecanedioic acid
CID 14556981
6,12-diaminoheptadecanedioic acid
CID 23455605
6,6-dibromohexanoic acid
CID 87666257

Frequently Asked Questions

What is the IUPAC name of (14S)-15-bromo-14-fluoropentadecanoic acid?
The IUPAC name of (14S)-15-bromo-14-fluoropentadecanoic acid (CID 98040458) is (14S)-15-bromo-14-fluoropentadecanoic acid.
What is the SMILES notation for (14S)-15-bromo-14-fluoropentadecanoic acid?
The canonical SMILES for (14S)-15-bromo-14-fluoropentadecanoic acid is O=C(O)CCCCCCCCCCCC[C@H](F)CBr.
What is the InChIKey of (14S)-15-bromo-14-fluoropentadecanoic acid?
The InChIKey is LLNNDRIUZRRTDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28BrFO2/c16-13-14(17)11-9-7-5-3-1-2-4-6-8-10-12-15(18)19/h14H,1-13H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (14S)-15-bromo-14-fluoropentadecanoic acid?
(14S)-15-bromo-14-fluoropentadecanoic acid has a molecular weight of 339.29 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-15-bromo-14-fluoropentadecanoic acid is sourced from PubChem (CID 98040458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).