CID 159924835

C7HF5GaO2 — CID 159924835

IUPAC—
SMILESO=C(O[GaH])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7HF5O2.Ga.H/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);;/q;+1;/p-1
InChIKeyPDMMVQAPABDTBF-UHFFFAOYSA-M
MW281.80 g/mol
LogP1.35
Rot. Bonds1

About CID 159924835

CID 159924835 (PubChem CID 159924835) has the molecular formula C7HF5GaO2 and a molecular weight of 281.80 g/mol.

Molecular Properties

Compound NameCID 159924835
PubChem CID159924835
Molecular FormulaC7HF5GaO2
Molecular Weight281.80 g/mol
Exact Mass280.92
IUPAC Name—
SMILESO=C(O[GaH])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7HF5O2.Ga.H/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);;/q;+1;/p-1
InChIKeyPDMMVQAPABDTBF-UHFFFAOYSA-M
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze CID 159924835 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

azido 2,3,4,5,6-pentafluorobenzoate
CID 150537684
4-(2,3,4,5,6-pentafluorobenzoyl)oxybut-2-ynyl 2,3,4,5,6-pentafluorobenzoate
CID 58361971
(2,3,4,6-tetrafluoro-5-methoxycarbonylphenyl)boronic acid
CID 143748431
prop-2-enyl 2,3,4,5,6-pentafluorobenzoate
CID 606766
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
bis(prop-2-enyl) 2,4,5,6-tetrafluorobenzene-1,3-dicarboxylate
CID 71338498
trimethylsilyl 1,3,4,5,6,7,8-heptafluoronaphthalene-2-carboxylate
CID 91743682
(2,2,3,3-tetrafluoro-4-methoxybutyl) 2,3,4,5,6-pentafluorobenzoate
CID 143972026
2,3,4,5-tetrafluoro-6-fluorooxycarbonylbenzoic acid
CID 150469722
[(1E)-buta-1,3-dienyl] 2,3,4,5,6-pentafluorobenzoate
CID 172553918
methyl 2,3,5,6-tetrafluoro-4-methylbenzoate;2,3,5,6-tetrafluoro-4-methylbenzoic acid
CID 162059106
alumane;2,3,4,5,6-pentafluorobenzoic acid
CID 175014450

Frequently Asked Questions

What is the IUPAC name of CID 159924835?
The IUPAC name of CID 159924835 (CID 159924835) is not available.
What is the SMILES notation for CID 159924835?
The canonical SMILES for CID 159924835 is O=C(O[GaH])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of CID 159924835?
The InChIKey is PDMMVQAPABDTBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF5O2.Ga.H/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);;/q;+1;/p-1.
What are the key properties of CID 159924835?
CID 159924835 has a molecular weight of 281.80 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159924835 is sourced from PubChem (CID 159924835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).