(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal

C9H15FO4 — CID 129035272

IUPAC(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C=O)O1
InChIInChI=1S/C9H15FO4/c1-8(2)13-4-6(14-8)7(12)9(3,10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyOEVAOEDMFDSSNR-BHNWBGBOSA-N
MW206.21 g/mol
LogP0.43
Rot. Bonds3

About (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal

(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal (PubChem CID 129035272) has the molecular formula C9H15FO4 and a molecular weight of 206.21 g/mol. Its IUPAC name is (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal
PubChem CID129035272
Molecular FormulaC9H15FO4
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal
SMILESCC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C=O)O1
InChIInChI=1S/C9H15FO4/c1-8(2)13-4-6(14-8)7(12)9(3,10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyOEVAOEDMFDSSNR-BHNWBGBOSA-N
XLogP0.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
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,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal?
The IUPAC name of (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal (CID 129035272) is (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal.
What is the SMILES notation for (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal?
The canonical SMILES for (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal is CC1(C)OC[C@H]([C@@H](O)[C@@](C)(F)C=O)O1.
What is the InChIKey of (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal?
The InChIKey is OEVAOEDMFDSSNR-BHNWBGBOSA-N. The full InChI is InChI=1S/C9H15FO4/c1-8(2)13-4-6(14-8)7(12)9(3,10)5-11/h5-7,12H,4H2,1-3H3/t6-,7-,9+/m1/s1.
What are the key properties of (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal?
(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal has a molecular weight of 206.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal is sourced from PubChem (CID 129035272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).