formic acid;trifluoromethylbenzene

C8H7F3O2 — CID 153353869

IUPACformic acid;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=CO
InChIInChI=1S/C7H5F3.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyRBTFZXDRDNFVMW-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.41
Rot. Bonds

About formic acid;trifluoromethylbenzene

formic acid;trifluoromethylbenzene (PubChem CID 153353869) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is formic acid;trifluoromethylbenzene.

Molecular Properties

Compound Nameformic acid;trifluoromethylbenzene
PubChem CID153353869
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Nameformic acid;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.O=CO
InChIInChI=1S/C7H5F3.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyRBTFZXDRDNFVMW-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.41
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;trifluoromethylbenzene?
The IUPAC name of formic acid;trifluoromethylbenzene (CID 153353869) is formic acid;trifluoromethylbenzene.
What is the SMILES notation for formic acid;trifluoromethylbenzene?
The canonical SMILES for formic acid;trifluoromethylbenzene is FC(F)(F)c1ccccc1.O=CO.
What is the InChIKey of formic acid;trifluoromethylbenzene?
The InChIKey is RBTFZXDRDNFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.CH2O2/c8-7(9,10)6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3).
What are the key properties of formic acid;trifluoromethylbenzene?
formic acid;trifluoromethylbenzene has a molecular weight of 192.14 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;trifluoromethylbenzene is sourced from PubChem (CID 153353869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).