2-azido-3-fluoro-3-methylbutan-1-ol

C5H10FN3O — CID 150695557

IUPAC2-azido-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(CO)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3
InChIKeyJKTSGSBHQGKHAS-UHFFFAOYSA-N
MW147.15 g/mol
LogP1.41
Rot. Bonds3

About 2-azido-3-fluoro-3-methylbutan-1-ol

2-azido-3-fluoro-3-methylbutan-1-ol (PubChem CID 150695557) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-azido-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-azido-3-fluoro-3-methylbutan-1-ol
PubChem CID150695557
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name2-azido-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(CO)N=[N+]=[N-]
InChIInChI=1S/C5H10FN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3
InChIKeyJKTSGSBHQGKHAS-UHFFFAOYSA-N
XLogP1.41
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-azido-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 2-azido-3-fluoro-3-methylbutan-1-ol (CID 150695557) is 2-azido-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 2-azido-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 2-azido-3-fluoro-3-methylbutan-1-ol is CC(C)(F)C(CO)N=[N+]=[N-].
What is the InChIKey of 2-azido-3-fluoro-3-methylbutan-1-ol?
The InChIKey is JKTSGSBHQGKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3O/c1-5(2,6)4(3-10)8-9-7/h4,10H,3H2,1-2H3.
What are the key properties of 2-azido-3-fluoro-3-methylbutan-1-ol?
2-azido-3-fluoro-3-methylbutan-1-ol has a molecular weight of 147.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 150695557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).