boric acid;tris(1,1,2-trifluoroethanol)

C6H12BF9O6 — CID 175149497

IUPACboric acid;tris(1,1,2-trifluoroethanol)
SMILESOB(O)O.OC(F)(F)CF.OC(F)(F)CF.OC(F)(F)CF
InChIInChI=1S/3C2H3F3O.BH3O3/c3*3-1-2(4,5)6;2-1(3)4/h3*6H,1H2;2-4H
InChIKeyXSWVIDVSGNAQBL-UHFFFAOYSA-N
MW361.95 g/mol
LogP-0.43
Rot. Bonds3

About boric acid;tris(1,1,2-trifluoroethanol)

boric acid;tris(1,1,2-trifluoroethanol) (PubChem CID 175149497) has the molecular formula C6H12BF9O6 and a molecular weight of 361.95 g/mol. Its IUPAC name is boric acid;tris(1,1,2-trifluoroethanol).

Molecular Properties

Compound Nameboric acid;tris(1,1,2-trifluoroethanol)
PubChem CID175149497
Molecular FormulaC6H12BF9O6
Molecular Weight361.95 g/mol
Exact Mass362.06
IUPAC Nameboric acid;tris(1,1,2-trifluoroethanol)
SMILESOB(O)O.OC(F)(F)CF.OC(F)(F)CF.OC(F)(F)CF
InChIInChI=1S/3C2H3F3O.BH3O3/c3*3-1-2(4,5)6;2-1(3)4/h3*6H,1H2;2-4H
InChIKeyXSWVIDVSGNAQBL-UHFFFAOYSA-N
XLogP-0.43
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.95
LogP ≤ 5-0.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze boric acid;tris(1,1,2-trifluoroethanol) 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

1,1,3-trifluoropropan-1-ol
CID 18319092
lithium;boric acid;trifluoromethanolate
CID 159254971
boric acid
CID 173080807
1,1,1,2-tetrafluoroethane;hydrate
CID 87179187
CID 173032522
CID 173032522
boric acid;trifluoromethanesulfonic acid
CID 161076085
boric acid;bis(2,4-dimethylpentane-2,4-diol)
CID 158108058
2,3-difluoro-2-hydroxypropanamide
CID 166508144
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279
boric acid;bis(2,3-dimethylbutane-2,3-diol)
CID 87113671
1,1,1-trifluoro-2-(fluoromethyl)but-3-en-2-ol
CID 87791383
2,3,3,4-tetrafluoro-2-hydroxybutanenitrile
CID 173218202

Frequently Asked Questions

What is the IUPAC name of boric acid;tris(1,1,2-trifluoroethanol)?
The IUPAC name of boric acid;tris(1,1,2-trifluoroethanol) (CID 175149497) is boric acid;tris(1,1,2-trifluoroethanol).
What is the SMILES notation for boric acid;tris(1,1,2-trifluoroethanol)?
The canonical SMILES for boric acid;tris(1,1,2-trifluoroethanol) is OB(O)O.OC(F)(F)CF.OC(F)(F)CF.OC(F)(F)CF.
What is the InChIKey of boric acid;tris(1,1,2-trifluoroethanol)?
The InChIKey is XSWVIDVSGNAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H3F3O.BH3O3/c3*3-1-2(4,5)6;2-1(3)4/h3*6H,1H2;2-4H.
What are the key properties of boric acid;tris(1,1,2-trifluoroethanol)?
boric acid;tris(1,1,2-trifluoroethanol) has a molecular weight of 361.95 g/mol, XLogP of -0.43, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(1,1,2-trifluoroethanol) is sourced from PubChem (CID 175149497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).