2-azido-1-(3-fluorophenyl)ethanol

C8H8FN3O — CID 83093254

IUPAC2-azido-1-(3-fluorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1cccc(F)c1
InChIInChI=1S/C8H8FN3O/c9-7-3-1-2-6(4-7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyPBQNTXNLTTYYEL-UHFFFAOYSA-N
MW181.17 g/mol
LogP2.17
Rot. Bonds3

About 2-azido-1-(3-fluorophenyl)ethanol

2-azido-1-(3-fluorophenyl)ethanol (PubChem CID 83093254) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-azido-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-azido-1-(3-fluorophenyl)ethanol
PubChem CID83093254
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name2-azido-1-(3-fluorophenyl)ethanol
SMILES[N-]=[N+]=NCC(O)c1cccc(F)c1
InChIInChI=1S/C8H8FN3O/c9-7-3-1-2-6(4-7)8(13)5-11-12-10/h1-4,8,13H,5H2
InChIKeyPBQNTXNLTTYYEL-UHFFFAOYSA-N
XLogP2.17
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.17
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'}

Analyze 2-azido-1-(3-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-azido-1-(3-chlorophenyl)ethanol
CID 59761679
2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83092965
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
2-azido-1-(2,5-difluorophenyl)ethanol
CID 80503360
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
2-(2-azidoethylamino)-2-(3-fluorophenyl)acetic acid
CID 66190399
(1R)-2-azido-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 86605117
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772
4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 150755618

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-azido-1-(3-fluorophenyl)ethanol (CID 83093254) is 2-azido-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-azido-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-azido-1-(3-fluorophenyl)ethanol is [N-]=[N+]=NCC(O)c1cccc(F)c1.
What is the InChIKey of 2-azido-1-(3-fluorophenyl)ethanol?
The InChIKey is PBQNTXNLTTYYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c9-7-3-1-2-6(4-7)8(13)5-11-12-10/h1-4,8,13H,5H2.
What are the key properties of 2-azido-1-(3-fluorophenyl)ethanol?
2-azido-1-(3-fluorophenyl)ethanol has a molecular weight of 181.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 83093254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).