2-azido-1-[3-(trifluoromethyl)phenyl]ethanol

C9H8F3N3O — CID 83092965

IUPAC2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
SMILES[N-]=[N+]=NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)7-3-1-2-6(4-7)8(16)5-14-15-13/h1-4,8,16H,5H2
InChIKeyWCDRLWYVVPQWJS-UHFFFAOYSA-N
MW231.18 g/mol
LogP3.05
Rot. Bonds3

About 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol

2-azido-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 83092965) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID83092965
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
SMILES[N-]=[N+]=NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)7-3-1-2-6(4-7)8(16)5-14-15-13/h1-4,8,16H,5H2
InChIKeyWCDRLWYVVPQWJS-UHFFFAOYSA-N
XLogP3.05
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 53.05
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

(1R)-2-azido-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 166669987
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
3-azido-1-[3-bromo-5-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170827273
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol (CID 83092965) is 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol is [N-]=[N+]=NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is WCDRLWYVVPQWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)7-3-1-2-6(4-7)8(16)5-14-15-13/h1-4,8,16H,5H2.
What are the key properties of 2-azido-1-[3-(trifluoromethyl)phenyl]ethanol?
2-azido-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 231.18 g/mol, XLogP of 3.05, 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-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 83092965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).