1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol

C9H9BrFN3O — CID 123611548

IUPAC1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol
SMILESCC(O)(CN=[N+]=[N-])c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFN3O/c1-9(15,5-13-14-12)7-4-6(10)2-3-8(7)11/h2-4,15H,5H2,1H3
InChIKeyKCGPSHDAHMXVAP-UHFFFAOYSA-N
MW274.09 g/mol
LogP3.11
Rot. Bonds3

About 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol

1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol (PubChem CID 123611548) has the molecular formula C9H9BrFN3O and a molecular weight of 274.09 g/mol. Its IUPAC name is 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol
PubChem CID123611548
Molecular FormulaC9H9BrFN3O
Molecular Weight274.09 g/mol
Exact Mass272.99
IUPAC Name1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol
SMILESCC(O)(CN=[N+]=[N-])c1cc(Br)ccc1F
InChIInChI=1S/C9H9BrFN3O/c1-9(15,5-13-14-12)7-4-6(10)2-3-8(7)11/h2-4,15H,5H2,1H3
InChIKeyKCGPSHDAHMXVAP-UHFFFAOYSA-N
XLogP3.11
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 53.11
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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Related Compounds

1-azido-2-(4-bromophenyl)propan-2-ol
CID 122364267
(2S)-1-azido-2-(2-bromo-3-methylphenyl)propan-2-ol
CID 118067635
(2S)-1-azido-2-(2-chlorophenyl)propan-2-ol
CID 70910200
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82967414
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
tert-butyl N-[(2R)-1-azido-2-(5-bromo-2,3-difluorophenyl)propan-2-yl]carbamate
CID 144756194
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
1-azido-2-(2-bromo-5-phenylmethoxyphenyl)propan-2-ol
CID 14167088

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol (CID 123611548) is 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol is CC(O)(CN=[N+]=[N-])c1cc(Br)ccc1F.
What is the InChIKey of 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol?
The InChIKey is KCGPSHDAHMXVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3O/c1-9(15,5-13-14-12)7-4-6(10)2-3-8(7)11/h2-4,15H,5H2,1H3.
What are the key properties of 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol?
1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol has a molecular weight of 274.09 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(5-bromo-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 123611548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).