CID 131862435

C2HBrF2KO2 — CID 131862435

IUPAC—
SMILESO=C(O)C(F)(F)Br.[K]
InChIInChI=1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyQILGNTLZOLHREV-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.68
Rot. Bonds1

About CID 131862435

CID 131862435 (PubChem CID 131862435) has the molecular formula C2HBrF2KO2 and a molecular weight of 214.03 g/mol.

Molecular Properties

Compound NameCID 131862435
PubChem CID131862435
Molecular FormulaC2HBrF2KO2
Molecular Weight214.03 g/mol
Exact Mass212.88
IUPAC Name—
SMILESO=C(O)C(F)(F)Br.[K]
InChIInChI=1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);
InChIKeyQILGNTLZOLHREV-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride
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calcium;2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid;hydride
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2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2-difluoropropanedioic acid
CID 10130002
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
1,1,3-tribromo-1,3,3-trifluoropropan-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 131862435?
The IUPAC name of CID 131862435 (CID 131862435) is not available.
What is the SMILES notation for CID 131862435?
The canonical SMILES for CID 131862435 is O=C(O)C(F)(F)Br.[K].
What is the InChIKey of CID 131862435?
The InChIKey is QILGNTLZOLHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);.
What are the key properties of CID 131862435?
CID 131862435 has a molecular weight of 214.03 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131862435 is sourced from PubChem (CID 131862435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).