5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

C10H18FN3O3 — CID 20758645

IUPAC5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CF)C(N=[N+]=[N-])C(O)C1O
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3
InChIKeyUVOUNMGTNLRINT-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.17
Rot. Bonds2

About 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol

5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (PubChem CID 20758645) has the molecular formula C10H18FN3O3 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
PubChem CID20758645
Molecular FormulaC10H18FN3O3
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Name5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol
SMILESCC(C)(C)C1OC(CF)C(N=[N+]=[N-])C(O)C1O
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3
InChIKeyUVOUNMGTNLRINT-UHFFFAOYSA-N
XLogP1.17
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-2-tert-butyl-5-(2,2-dimethylpropyl)oxolan-3-ol
CID 59848387
2-tert-butyl-6-(fluoromethyl)oxane-3,4,5-triol
CID 20758632
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200
(3R,4R,5S,6R)-2-tert-butyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70960673
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The IUPAC name of 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol (CID 20758645) is 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol.
What is the SMILES notation for 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The canonical SMILES for 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is CC(C)(C)C1OC(CF)C(N=[N+]=[N-])C(O)C1O.
What is the InChIKey of 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
The InChIKey is UVOUNMGTNLRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O3/c1-10(2,3)9-8(16)7(15)6(13-14-12)5(4-11)17-9/h5-9,15-16H,4H2,1-3H3.
What are the key properties of 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol?
5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol has a molecular weight of 247.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-tert-butyl-6-(fluoromethyl)oxane-3,4-diol is sourced from PubChem (CID 20758645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).