CID 10250683

C15H12F6O3V+2 — CID 10250683

IUPAC—
SMILESO=C(CC(=O)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-2].[V+4]
InChIInChI=1S/C5H2F6O2.2C5H5.O.V/c6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-2-4-5-3-1;;/h1H2;2*1-5H;;/q;;;-2;+4
InChIKeyYGGDFWNOQGIASK-UHFFFAOYSA-N
MW405.19 g/mol
LogP3.56
Rot. Bonds2

About CID 10250683

CID 10250683 (PubChem CID 10250683) has the molecular formula C15H12F6O3V+2 and a molecular weight of 405.19 g/mol.

Molecular Properties

Compound NameCID 10250683
PubChem CID10250683
Molecular FormulaC15H12F6O3V+2
Molecular Weight405.19 g/mol
Exact Mass405.01
IUPAC Name—
SMILESO=C(CC(=O)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-2].[V+4]
InChIInChI=1S/C5H2F6O2.2C5H5.O.V/c6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-2-4-5-3-1;;/h1H2;2*1-5H;;/q;;;-2;+4
InChIKeyYGGDFWNOQGIASK-UHFFFAOYSA-N
XLogP3.56
TPSA62.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10250683?
The IUPAC name of CID 10250683 (CID 10250683) is not available.
What is the SMILES notation for CID 10250683?
The canonical SMILES for CID 10250683 is O=C(CC(=O)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-2].[V+4].
What is the InChIKey of CID 10250683?
The InChIKey is YGGDFWNOQGIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O2.2C5H5.O.V/c6-4(7,8)2(12)1-3(13)5(9,10)11;2*1-2-4-5-3-1;;/h1H2;2*1-5H;;/q;;;-2;+4.
What are the key properties of CID 10250683?
CID 10250683 has a molecular weight of 405.19 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10250683 is sourced from PubChem (CID 10250683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).