2-azido-1-(2,5-difluorophenyl)ethanol

C8H7F2N3O — CID 80503360

IUPAC2-azido-1-(2,5-difluorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N3O/c9-5-1-2-7(10)6(3-5)8(14)4-12-13-11/h1-3,8,14H,4H2
InChIKeyVAMWDFUZRXEQNU-UHFFFAOYSA-N
MW199.16 g/mol
LogP2.31
Rot. Bonds3

About 2-azido-1-(2,5-difluorophenyl)ethanol

2-azido-1-(2,5-difluorophenyl)ethanol (PubChem CID 80503360) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-azido-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-azido-1-(2,5-difluorophenyl)ethanol
PubChem CID80503360
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name2-azido-1-(2,5-difluorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1cc(F)ccc1F
InChIInChI=1S/C8H7F2N3O/c9-5-1-2-7(10)6(3-5)8(14)4-12-13-11/h1-3,8,14H,4H2
InChIKeyVAMWDFUZRXEQNU-UHFFFAOYSA-N
XLogP2.31
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 52.31
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

2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
(1R)-2-azido-1-(3,5-dichloro-2-fluorophenyl)ethanol
CID 165499072
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-azido-1-(2,5-difluorophenyl)ethanol (CID 80503360) is 2-azido-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-azido-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-azido-1-(2,5-difluorophenyl)ethanol is [N-]=[N+]=NCC(O)c1cc(F)ccc1F.
What is the InChIKey of 2-azido-1-(2,5-difluorophenyl)ethanol?
The InChIKey is VAMWDFUZRXEQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-5-1-2-7(10)6(3-5)8(14)4-12-13-11/h1-3,8,14H,4H2.
What are the key properties of 2-azido-1-(2,5-difluorophenyl)ethanol?
2-azido-1-(2,5-difluorophenyl)ethanol has a molecular weight of 199.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 80503360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).