(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid

C10H18F2O3 — CID 138478690

IUPAC(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid
SMILESC[C@@H](C(=O)O)[C@H](O)CCCCC(F)CF
InChIInChI=1S/C10H18F2O3/c1-7(10(14)15)9(13)5-3-2-4-8(12)6-11/h7-9,13H,2-6H2,1H3,(H,14,15)/t7-,8?,9-/m1/s1
InChIKeyQWCHWPCJCNDYOZ-PSGOWDBMSA-N
MW224.25 g/mol
LogP1.94
Rot. Bonds8

About (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid

(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid (PubChem CID 138478690) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid.

Molecular Properties

Compound Name(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid
PubChem CID138478690
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid
SMILESC[C@@H](C(=O)O)[C@H](O)CCCCC(F)CF
InChIInChI=1S/C10H18F2O3/c1-7(10(14)15)9(13)5-3-2-4-8(12)6-11/h7-9,13H,2-6H2,1H3,(H,14,15)/t7-,8?,9-/m1/s1
InChIKeyQWCHWPCJCNDYOZ-PSGOWDBMSA-N
XLogP1.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,9-dihydroxy-2-methyldecanoic acid
CID 18709867
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
6-bromo-3-hydroxy-2-methylhexanoic acid
CID 14637746
(2S,3R)-3-hydroxy-2-methyloct-7-ynoic acid
CID 11789635
(2S)-5-chloro-3-hydroxy-2-methylpentanoic acid
CID 87872460
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
2-fluoro-3-hydroxytetradecanoic acid
CID 15738774
3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
CID 163153417
(2R,3R,8R,10E,12Z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
CID 146682894
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid?
The IUPAC name of (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid (CID 138478690) is (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid.
What is the SMILES notation for (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid?
The canonical SMILES for (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid is C[C@@H](C(=O)O)[C@H](O)CCCCC(F)CF.
What is the InChIKey of (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid?
The InChIKey is QWCHWPCJCNDYOZ-PSGOWDBMSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-7(10(14)15)9(13)5-3-2-4-8(12)6-11/h7-9,13H,2-6H2,1H3,(H,14,15)/t7-,8?,9-/m1/s1.
What are the key properties of (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid?
(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid has a molecular weight of 224.25 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid is sourced from PubChem (CID 138478690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).