(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal

C10H16F2O4 — CID 154525308

IUPAC(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal
SMILESCCC1(CC)OC[C@H]([C@@H](O)C(F)(F)C=O)O1
InChIInChI=1S/C10H16F2O4/c1-3-9(4-2)15-5-7(16-9)8(14)10(11,12)6-13/h6-8,14H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyRDCZEKVRPDLMRU-HTQZYQBOSA-N
MW238.23 g/mol
LogP1.11
Rot. Bonds5

About (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal

(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal (PubChem CID 154525308) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal.

Molecular Properties

Compound Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal
PubChem CID154525308
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal
SMILESCCC1(CC)OC[C@H]([C@@H](O)C(F)(F)C=O)O1
InChIInChI=1S/C10H16F2O4/c1-3-9(4-2)15-5-7(16-9)8(14)10(11,12)6-13/h6-8,14H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyRDCZEKVRPDLMRU-HTQZYQBOSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal?
The IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal (CID 154525308) is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal.
What is the SMILES notation for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal?
The canonical SMILES for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal is CCC1(CC)OC[C@H]([C@@H](O)C(F)(F)C=O)O1.
What is the InChIKey of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal?
The InChIKey is RDCZEKVRPDLMRU-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-3-9(4-2)15-5-7(16-9)8(14)10(11,12)6-13/h6-8,14H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal?
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal has a molecular weight of 238.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanal is sourced from PubChem (CID 154525308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).