6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

C7H9F6N3O — CID 150637260

IUPAC6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILES[N-]=[N+]=NCCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N3O/c8-6(9,10)5(17,7(11,12)13)3-1-2-4-15-16-14/h17H,1-4H2
InChIKeyIZDOERHJVYAZBQ-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.32
Rot. Bonds5

About 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol

6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (PubChem CID 150637260) has the molecular formula C7H9F6N3O and a molecular weight of 265.16 g/mol. Its IUPAC name is 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
PubChem CID150637260
Molecular FormulaC7H9F6N3O
Molecular Weight265.16 g/mol
Exact Mass265.06
IUPAC Name6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
SMILES[N-]=[N+]=NCCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N3O/c8-6(9,10)5(17,7(11,12)13)3-1-2-4-15-16-14/h17H,1-4H2
InChIKeyIZDOERHJVYAZBQ-UHFFFAOYSA-N
XLogP3.32
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-azidoethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 171362973
1,14-diazidotetradecane
CID 146463967
8,8,8-trifluoro-7-(trifluoromethyl)octane-1,7-diol
CID 53430948
7-azido-1,1,1-trifluoroheptan-2-one
CID 150586806
1-azido-5-ethyl-5-methylheptane
CID 151097241
6-azidohexan-1-ol
CID 11051778
8-azidooctan-1-ol
CID 11789665
10-azidodecan-1-ol
CID 4641376
3-azidopropan-1-ol
CID 10996974
6-azido-2,2-dimethylhexanenitrile
CID 106713147
3-azido-1-bromo-1,1-difluoropropane
CID 22571476
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391

Frequently Asked Questions

What is the IUPAC name of 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol (CID 150637260) is 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is [N-]=[N+]=NCCCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
The InChIKey is IZDOERHJVYAZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N3O/c8-6(9,10)5(17,7(11,12)13)3-1-2-4-15-16-14/h17H,1-4H2.
What are the key properties of 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol?
6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol has a molecular weight of 265.16 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 150637260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).