azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol

C10H9F3N3O+ — CID 138980319

IUPACazido-[2-(3,3,3-trifluoropropyl)phenyl]methanol
SMILES[N-]=[N+]=NC(O)c1ccccc1[CH+]CC(F)(F)F
InChIInChI=1S/C10H9F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9,17H,6H2/q+1
InChIKeyBONKUEFDXUKLCS-UHFFFAOYSA-N
MW244.20 g/mol
LogP3.49
Rot. Bonds4

About azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol

azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol (PubChem CID 138980319) has the molecular formula C10H9F3N3O+ and a molecular weight of 244.20 g/mol. Its IUPAC name is azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol.

Molecular Properties

Compound Nameazido-[2-(3,3,3-trifluoropropyl)phenyl]methanol
PubChem CID138980319
Molecular FormulaC10H9F3N3O+
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Nameazido-[2-(3,3,3-trifluoropropyl)phenyl]methanol
SMILES[N-]=[N+]=NC(O)c1ccccc1[CH+]CC(F)(F)F
InChIInChI=1S/C10H9F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9,17H,6H2/q+1
InChIKeyBONKUEFDXUKLCS-UHFFFAOYSA-N
XLogP3.49
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 53.49
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol?
The IUPAC name of azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol (CID 138980319) is azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol.
What is the SMILES notation for azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol?
The canonical SMILES for azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol is [N-]=[N+]=NC(O)c1ccccc1[CH+]CC(F)(F)F.
What is the InChIKey of azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol?
The InChIKey is BONKUEFDXUKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N3O/c11-10(12,13)6-5-7-3-1-2-4-8(7)9(17)15-16-14/h1-5,9,17H,6H2/q+1.
What are the key properties of azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol?
azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol has a molecular weight of 244.20 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido-[2-(3,3,3-trifluoropropyl)phenyl]methanol is sourced from PubChem (CID 138980319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).