CID 153409815

C2HBF3O4 — CID 153409815

IUPAC—
SMILESO=C(OO[B]O)C(F)(F)F
InChIInChI=1S/C2HBF3O4/c4-2(5,6)1(7)9-10-3-8/h8H
InChIKeyVABMHZFKUHJFOT-UHFFFAOYSA-N
MW156.83 g/mol
LogP-0.45
Rot. Bonds2

About CID 153409815

CID 153409815 (PubChem CID 153409815) has the molecular formula C2HBF3O4 and a molecular weight of 156.83 g/mol.

Molecular Properties

Compound NameCID 153409815
PubChem CID153409815
Molecular FormulaC2HBF3O4
Molecular Weight156.83 g/mol
Exact Mass156.99
IUPAC Name—
SMILESO=C(OO[B]O)C(F)(F)F
InChIInChI=1S/C2HBF3O4/c4-2(5,6)1(7)9-10-3-8/h8H
InChIKeyVABMHZFKUHJFOT-UHFFFAOYSA-N
XLogP-0.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.83
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) prop-2-eneperoxoate
CID 140517984
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
(2,2,2-trifluoroacetyl)sulfanyl 2,2,2-trifluoroacetate
CID 91452676
bis[(2,2,2-trifluoroacetyl)oxy]stibanyl 2,2,2-trifluoroacetate
CID 16685221
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
CID 175908128
CID 175908128
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895
(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
CID 87313156
oxothallanyl 2,2,2-trifluoroacetate
CID 141105669
3-tribromosilylpropyl 2,2,2-trifluoroacetate
CID 87294276
acetyl 2,2,2-trifluoroacetate;copper
CID 174842973

Frequently Asked Questions

What is the IUPAC name of CID 153409815?
The IUPAC name of CID 153409815 (CID 153409815) is not available.
What is the SMILES notation for CID 153409815?
The canonical SMILES for CID 153409815 is O=C(OO[B]O)C(F)(F)F.
What is the InChIKey of CID 153409815?
The InChIKey is VABMHZFKUHJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBF3O4/c4-2(5,6)1(7)9-10-3-8/h8H.
What are the key properties of CID 153409815?
CID 153409815 has a molecular weight of 156.83 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153409815 is sourced from PubChem (CID 153409815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).