(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium

C10H16FN3O4Sc — CID 156864870

IUPAC(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1.[Sc]
InChIInChI=1S/C10H16FN3O4.Sc/c1-10(2)17-7(6(16)5-15)8(18-10)9(11)14-4-3-12-13-14;/h3-4,6-9,15-16H,5H2,1-2H3;/t6-,7-,8-,9?;/m1./s1
InChIKeyILOVJRYDYWUEMH-BWZJATFVSA-N
MW306.21 g/mol
LogP-0.38
Rot. Bonds4

About (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium

(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium (PubChem CID 156864870) has the molecular formula C10H16FN3O4Sc and a molecular weight of 306.21 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium
PubChem CID156864870
Molecular FormulaC10H16FN3O4Sc
Molecular Weight306.21 g/mol
Exact Mass306.07
IUPAC Name(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1.[Sc]
InChIInChI=1S/C10H16FN3O4.Sc/c1-10(2)17-7(6(16)5-15)8(18-10)9(11)14-4-3-12-13-14;/h3-4,6-9,15-16H,5H2,1-2H3;/t6-,7-,8-,9?;/m1./s1
InChIKeyILOVJRYDYWUEMH-BWZJATFVSA-N
XLogP-0.38
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium 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 (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium?
The IUPAC name of (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium (CID 156864870) is (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium is CC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1.[Sc].
What is the InChIKey of (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium?
The InChIKey is ILOVJRYDYWUEMH-BWZJATFVSA-N. The full InChI is InChI=1S/C10H16FN3O4.Sc/c1-10(2)17-7(6(16)5-15)8(18-10)9(11)14-4-3-12-13-14;/h3-4,6-9,15-16H,5H2,1-2H3;/t6-,7-,8-,9?;/m1./s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium?
(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium has a molecular weight of 306.21 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium is sourced from PubChem (CID 156864870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).