benzaldehyde;trifluoromethoxyethene

C10H9F3O2 — CID 174453379

IUPACbenzaldehyde;trifluoromethoxyethene
SMILESC=COC(F)(F)F.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H3F3O/c8-6-7-4-2-1-3-5-7;1-2-7-3(4,5)6/h1-6H;2H,1H2
InChIKeyQNHLBYODWMBLTB-UHFFFAOYSA-N
MW218.17 g/mol
LogP3.17
Rot. Bonds2

About benzaldehyde;trifluoromethoxyethene

benzaldehyde;trifluoromethoxyethene (PubChem CID 174453379) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is benzaldehyde;trifluoromethoxyethene.

Molecular Properties

Compound Namebenzaldehyde;trifluoromethoxyethene
PubChem CID174453379
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Namebenzaldehyde;trifluoromethoxyethene
SMILESC=COC(F)(F)F.O=Cc1ccccc1
InChIInChI=1S/C7H6O.C3H3F3O/c8-6-7-4-2-1-3-5-7;1-2-7-3(4,5)6/h1-6H;2H,1H2
InChIKeyQNHLBYODWMBLTB-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;ethene
CID 22005957
benzaldehyde;2,2,2-trifluoroacetic acid
CID 160861235
benzaldehyde;hydrate
CID 86741597
sodium;benzaldehyde;formaldehyde;hydride
CID 173317417
carbonic acid;trifluoromethoxyethene
CID 175150293
benzaldehyde;ethane
CID 54495732
benzaldehyde;N-ethenylethenamine
CID 18330714
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384
CID 88641832
CID 88641832
benzaldehyde;prop-2-enoyl chloride
CID 21322755
benzene;terephthalaldehyde
CID 163498156

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;trifluoromethoxyethene?
The IUPAC name of benzaldehyde;trifluoromethoxyethene (CID 174453379) is benzaldehyde;trifluoromethoxyethene.
What is the SMILES notation for benzaldehyde;trifluoromethoxyethene?
The canonical SMILES for benzaldehyde;trifluoromethoxyethene is C=COC(F)(F)F.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;trifluoromethoxyethene?
The InChIKey is QNHLBYODWMBLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C3H3F3O/c8-6-7-4-2-1-3-5-7;1-2-7-3(4,5)6/h1-6H;2H,1H2.
What are the key properties of benzaldehyde;trifluoromethoxyethene?
benzaldehyde;trifluoromethoxyethene has a molecular weight of 218.17 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;trifluoromethoxyethene is sourced from PubChem (CID 174453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).