(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal

C6H9F3O4 — CID 141384605

IUPAC(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal
SMILESC[C@@](O)([C@@H](O)[C@@H](O)C=O)C(F)(F)F
InChIInChI=1S/C6H9F3O4/c1-5(13,6(7,8)9)4(12)3(11)2-10/h2-4,11-13H,1H3/t3-,4-,5+/m0/s1
InChIKeyYTXYZRMEBNUIHP-VAYJURFESA-N
MW202.13 g/mol
LogP-0.78
Rot. Bonds3

About (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal

(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal (PubChem CID 141384605) has the molecular formula C6H9F3O4 and a molecular weight of 202.13 g/mol. Its IUPAC name is (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal.

Molecular Properties

Compound Name(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal
PubChem CID141384605
Molecular FormulaC6H9F3O4
Molecular Weight202.13 g/mol
Exact Mass202.05
IUPAC Name(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal
SMILESC[C@@](O)([C@@H](O)[C@@H](O)C=O)C(F)(F)F
InChIInChI=1S/C6H9F3O4/c1-5(13,6(7,8)9)4(12)3(11)2-10/h2-4,11-13H,1H3/t3-,4-,5+/m0/s1
InChIKeyYTXYZRMEBNUIHP-VAYJURFESA-N
XLogP-0.78
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal?
The IUPAC name of (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal (CID 141384605) is (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal.
What is the SMILES notation for (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal?
The canonical SMILES for (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal is C[C@@](O)([C@@H](O)[C@@H](O)C=O)C(F)(F)F.
What is the InChIKey of (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal?
The InChIKey is YTXYZRMEBNUIHP-VAYJURFESA-N. The full InChI is InChI=1S/C6H9F3O4/c1-5(13,6(7,8)9)4(12)3(11)2-10/h2-4,11-13H,1H3/t3-,4-,5+/m0/s1.
What are the key properties of (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal?
(2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal has a molecular weight of 202.13 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5,5,5-trifluoro-2,3,4-trihydroxy-4-methylpentanal is sourced from PubChem (CID 141384605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).