CID 172747155

C10H7F3MgO5 — CID 172747155

IUPAC—
SMILESCOc1c(C=O)cc(C(=O)O)cc1OC(F)(F)F.[Mg]
InChIInChI=1S/C10H7F3O5.Mg/c1-17-8-6(4-14)2-5(9(15)16)3-7(8)18-10(11,12)13;/h2-4H,1H3,(H,15,16);
InChIKeyJWLDUMUYZCLVEV-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.72
Rot. Bonds4

About CID 172747155

CID 172747155 (PubChem CID 172747155) has the molecular formula C10H7F3MgO5 and a molecular weight of 288.46 g/mol.

Molecular Properties

Compound NameCID 172747155
PubChem CID172747155
Molecular FormulaC10H7F3MgO5
Molecular Weight288.46 g/mol
Exact Mass288.01
IUPAC Name—
SMILESCOc1c(C=O)cc(C(=O)O)cc1OC(F)(F)F.[Mg]
InChIInChI=1S/C10H7F3O5.Mg/c1-17-8-6(4-14)2-5(9(15)16)3-7(8)18-10(11,12)13;/h2-4H,1H3,(H,15,16);
InChIKeyJWLDUMUYZCLVEV-UHFFFAOYSA-N
XLogP1.72
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
1-[3-bromo-4-methoxy-5-(trifluoromethoxy)phenyl]ethanone;1,5-dibromo-2-methoxy-3-(trifluoromethoxy)benzene
CID 161089581
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
2-formyl-6-(trifluoromethoxy)benzoic acid
CID 86042749
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
3-formyl-5-(trifluoromethoxy)benzoic acid
CID 154727146
3-amino-4-fluoro-5-(trifluoromethoxy)benzoic acid
CID 134649980
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348
3-acetyloxy-5-fluoro-4-methoxybenzoic acid
CID 67076728

Frequently Asked Questions

What is the IUPAC name of CID 172747155?
The IUPAC name of CID 172747155 (CID 172747155) is not available.
What is the SMILES notation for CID 172747155?
The canonical SMILES for CID 172747155 is COc1c(C=O)cc(C(=O)O)cc1OC(F)(F)F.[Mg].
What is the InChIKey of CID 172747155?
The InChIKey is JWLDUMUYZCLVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O5.Mg/c1-17-8-6(4-14)2-5(9(15)16)3-7(8)18-10(11,12)13;/h2-4H,1H3,(H,15,16);.
What are the key properties of CID 172747155?
CID 172747155 has a molecular weight of 288.46 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172747155 is sourced from PubChem (CID 172747155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).