(2R)-1-azido-2-fluoro-3-methylbutane

C5H10FN3 — CID 89243299

IUPAC(2R)-1-azido-2-fluoro-3-methylbutane
SMILESCC(C)[C@@H](F)CN=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-4(2)5(6)3-8-9-7/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyKPAVBMFKYRDJCN-YFKPBYRVSA-N
MW131.15 g/mol
LogP2.29
Rot. Bonds3

About (2R)-1-azido-2-fluoro-3-methylbutane

(2R)-1-azido-2-fluoro-3-methylbutane (PubChem CID 89243299) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is (2R)-1-azido-2-fluoro-3-methylbutane.

Molecular Properties

Compound Name(2R)-1-azido-2-fluoro-3-methylbutane
PubChem CID89243299
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name(2R)-1-azido-2-fluoro-3-methylbutane
SMILESCC(C)[C@@H](F)CN=[N+]=[N-]
InChIInChI=1S/C5H10FN3/c1-4(2)5(6)3-8-9-7/h4-5H,3H2,1-2H3/t5-/m0/s1
InChIKeyKPAVBMFKYRDJCN-YFKPBYRVSA-N
XLogP2.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze (2R)-1-azido-2-fluoro-3-methylbutane 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 (2R)-1-azido-2-fluoro-3-methylbutane?
The IUPAC name of (2R)-1-azido-2-fluoro-3-methylbutane (CID 89243299) is (2R)-1-azido-2-fluoro-3-methylbutane.
What is the SMILES notation for (2R)-1-azido-2-fluoro-3-methylbutane?
The canonical SMILES for (2R)-1-azido-2-fluoro-3-methylbutane is CC(C)[C@@H](F)CN=[N+]=[N-].
What is the InChIKey of (2R)-1-azido-2-fluoro-3-methylbutane?
The InChIKey is KPAVBMFKYRDJCN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10FN3/c1-4(2)5(6)3-8-9-7/h4-5H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-1-azido-2-fluoro-3-methylbutane?
(2R)-1-azido-2-fluoro-3-methylbutane has a molecular weight of 131.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-azido-2-fluoro-3-methylbutane is sourced from PubChem (CID 89243299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).