formic acid;1,3,5-trifluorobenzene

C7H5F3O2 — CID 159700197

IUPACformic acid;1,3,5-trifluorobenzene
SMILESFc1cc(F)cc(F)c1.O=CO
InChIInChI=1S/C6H3F3.CH2O2/c7-4-1-5(8)3-6(9)2-4;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyMXNGEDOVCMTEME-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.80
Rot. Bonds

About formic acid;1,3,5-trifluorobenzene

formic acid;1,3,5-trifluorobenzene (PubChem CID 159700197) has the molecular formula C7H5F3O2 and a molecular weight of 178.11 g/mol. Its IUPAC name is formic acid;1,3,5-trifluorobenzene.

Molecular Properties

Compound Nameformic acid;1,3,5-trifluorobenzene
PubChem CID159700197
Molecular FormulaC7H5F3O2
Molecular Weight178.11 g/mol
Exact Mass178.02
IUPAC Nameformic acid;1,3,5-trifluorobenzene
SMILESFc1cc(F)cc(F)c1.O=CO
InChIInChI=1S/C6H3F3.CH2O2/c7-4-1-5(8)3-6(9)2-4;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyMXNGEDOVCMTEME-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;1,3,5-trifluorobenzene?
The IUPAC name of formic acid;1,3,5-trifluorobenzene (CID 159700197) is formic acid;1,3,5-trifluorobenzene.
What is the SMILES notation for formic acid;1,3,5-trifluorobenzene?
The canonical SMILES for formic acid;1,3,5-trifluorobenzene is Fc1cc(F)cc(F)c1.O=CO.
What is the InChIKey of formic acid;1,3,5-trifluorobenzene?
The InChIKey is MXNGEDOVCMTEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.CH2O2/c7-4-1-5(8)3-6(9)2-4;2-1-3/h1-3H;1H,(H,2,3).
What are the key properties of formic acid;1,3,5-trifluorobenzene?
formic acid;1,3,5-trifluorobenzene has a molecular weight of 178.11 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,3,5-trifluorobenzene is sourced from PubChem (CID 159700197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).