(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol

C9H10FN3O — CID 135056558

IUPAC(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol
SMILES[N-]=[N+]=NC[C@@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FN3O/c10-9(8(14)6-12-13-11)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2/t8-,9-/m1/s1
InChIKeyGAMCRPRRBQKRHX-RKDXNWHRSA-N
MW195.20 g/mol
LogP2.37
Rot. Bonds4

About (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol

(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol (PubChem CID 135056558) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol
PubChem CID135056558
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol
SMILES[N-]=[N+]=NC[C@@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FN3O/c10-9(8(14)6-12-13-11)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2/t8-,9-/m1/s1
InChIKeyGAMCRPRRBQKRHX-RKDXNWHRSA-N
XLogP2.37
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.37
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 (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol?
The IUPAC name of (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol (CID 135056558) is (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol is [N-]=[N+]=NC[C@@H](O)[C@H](F)c1ccccc1.
What is the InChIKey of (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol?
The InChIKey is GAMCRPRRBQKRHX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-9(8(14)6-12-13-11)7-4-2-1-3-5-7/h1-5,8-9,14H,6H2/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol?
(1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol has a molecular weight of 195.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-azido-1-fluoro-1-phenylpropan-2-ol is sourced from PubChem (CID 135056558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).