(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid

C20H37FO5 — CID 129405762

IUPAC(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid
SMILESCC(C)(CCCCCCCCCCC(C)(C)[C@@H](F)C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C20H37FO5/c1-19(2,15(21)17(23)24)13-11-9-7-5-6-8-10-12-14-20(3,4)16(22)18(25)26/h15-16,22H,5-14H2,1-4H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1
InChIKeyVEMCLKWKCBSLNS-JKSUJKDBSA-N
MW376.51 g/mol
LogP4.81
Rot. Bonds15

About (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid

(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid (PubChem CID 129405762) has the molecular formula C20H37FO5 and a molecular weight of 376.51 g/mol. Its IUPAC name is (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid.

Molecular Properties

Compound Name(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid
PubChem CID129405762
Molecular FormulaC20H37FO5
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid
SMILESCC(C)(CCCCCCCCCCC(C)(C)[C@@H](F)C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C20H37FO5/c1-19(2,15(21)17(23)24)13-11-9-7-5-6-8-10-12-14-20(3,4)16(22)18(25)26/h15-16,22H,5-14H2,1-4H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1
InChIKeyVEMCLKWKCBSLNS-JKSUJKDBSA-N
XLogP4.81
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid with MolForge

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Related Compounds

(2S,15S)-2-bromo-15-fluoro-3,3,14,14-tetramethylhexadecanedioic acid
CID 129405753
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
2-(2-methyltridecan-2-yl)propanedioic acid
CID 88734805
CID 131881947
CID 131881947
(1-carboxy-2,2-dimethylhexadecyl)-trimethylazanium
CID 20538026
2,15,15-trihydroxyhexadecanoic acid
CID 145010859
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
(2R)-2-hydroxy-3,3-dimethyl-4-sulfanyloxybutanoic acid
CID 90202145
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
2,2,11,11-tetramethyldodecane-1,1-diol
CID 154245547
2,2,15,15-tetramethylhexadecane-1,1-diol
CID 139908955
2-hexadecyl-2,3-dihydroxybutanedioic acid
CID 139894675

Frequently Asked Questions

What is the IUPAC name of (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid?
The IUPAC name of (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid (CID 129405762) is (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid.
What is the SMILES notation for (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid?
The canonical SMILES for (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid is CC(C)(CCCCCCCCCCC(C)(C)[C@@H](F)C(=O)O)[C@H](O)C(=O)O.
What is the InChIKey of (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid?
The InChIKey is VEMCLKWKCBSLNS-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H37FO5/c1-19(2,15(21)17(23)24)13-11-9-7-5-6-8-10-12-14-20(3,4)16(22)18(25)26/h15-16,22H,5-14H2,1-4H3,(H,23,24)(H,25,26)/t15-,16+/m0/s1.
What are the key properties of (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid?
(2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid has a molecular weight of 376.51 g/mol, XLogP of 4.81, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,15S)-2-fluoro-15-hydroxy-3,3,14,14-tetramethylhexadecanedioic acid is sourced from PubChem (CID 129405762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).