1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol

C11H7F8N3O — CID 3649851

IUPAC1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
SMILESOC(n1nnc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H7F8N3O/c12-7(13)9(14,15)11(18,19)10(16,17)8(23)22-6-4-2-1-3-5(6)20-21-22/h1-4,7-8,23H
InChIKeyGXHABCNYSUXVMT-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.09
Rot. Bonds5

About 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol

1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol (PubChem CID 3649851) has the molecular formula C11H7F8N3O and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
PubChem CID3649851
Molecular FormulaC11H7F8N3O
Molecular Weight349.18 g/mol
Exact Mass349.05
IUPAC Name1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
SMILESOC(n1nnc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H7F8N3O/c12-7(13)9(14,15)11(18,19)10(16,17)8(23)22-6-4-2-1-3-5(6)20-21-22/h1-4,7-8,23H
InChIKeyGXHABCNYSUXVMT-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Benzotriazole-1-propanoic acid
CID 563218
1H-Benzotriazole-1-methanol
CID 224169
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
1-Ethylbenzotriazole
CID 27939
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
1-Propargyl-1H-benzotriazole
CID 727001
1-(Cyclopropylmethyl)-4-fluorobenzotriazole
CID 155514221
1-Pentabenzotriazole
CID 3708772
1-Butyl-1H-benzotriazole
CID 4401906
Ethanol, 2,2'-[(1H-benzotriazol-1-ylmethyl)imino]bis-
CID 109112
1H-Benzotriazole-1-ethanol
CID 70313
1-Propyl-1H-1,2,3-benzotriazole
CID 3754503

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The IUPAC name of 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol (CID 3649851) is 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The canonical SMILES for 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol is OC(n1nnc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The InChIKey is GXHABCNYSUXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F8N3O/c12-7(13)9(14,15)11(18,19)10(16,17)8(23)22-6-4-2-1-3-5(6)20-21-22/h1-4,7-8,23H.
What are the key properties of 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol has a molecular weight of 349.18 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-2,2,3,3,4,4,5,5-octafluoropentan-1-ol is sourced from PubChem (CID 3649851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).