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

C10H16FN3O4 — CID 156864871

IUPAC(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1
InChIInChI=1S/C10H16FN3O4/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
InChIKeyFOYBRSFCSCUQPS-BYBOBHAWSA-N
MW261.25 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

(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 156864871) has the molecular formula C10H16FN3O4 and a molecular weight of 261.25 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.

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
PubChem CID156864871
Molecular FormulaC10H16FN3O4
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1
InChIInChI=1S/C10H16FN3O4/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
InChIKeyFOYBRSFCSCUQPS-BYBOBHAWSA-N
XLogP-0.38
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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?
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 (CID 156864871) is (1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
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?
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 is CC1(C)O[C@H]([C@H](O)CO)[C@H](C(F)n2ccnn2)O1.
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?
The InChIKey is FOYBRSFCSCUQPS-BYBOBHAWSA-N. The full InChI is InChI=1S/C10H16FN3O4/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?
(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 261.25 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 is sourced from PubChem (CID 156864871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).