2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal

C4HF7O — CID 18924230

IUPAC2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal
SMILESO=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-2(1-12,3(6,7)8)4(9,10)11/h1H
InChIKeyYONMYGSGTFAPIN-UHFFFAOYSA-N
MW198.04 g/mol
LogP2.02
Rot. Bonds1

About 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal

2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal (PubChem CID 18924230) has the molecular formula C4HF7O and a molecular weight of 198.04 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal
PubChem CID18924230
Molecular FormulaC4HF7O
Molecular Weight198.04 g/mol
Exact Mass197.99
IUPAC Name2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal
SMILESO=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-2(1-12,3(6,7)8)4(9,10)11/h1H
InChIKeyYONMYGSGTFAPIN-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.04
LogP ≤ 52.02
H-Bond Donors ≤ 50
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 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal (CID 18924230) is 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal is O=CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal?
The InChIKey is YONMYGSGTFAPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O/c5-2(1-12,3(6,7)8)4(9,10)11/h1H.
What are the key properties of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal?
2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal has a molecular weight of 198.04 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanal is sourced from PubChem (CID 18924230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).