2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal

C4H2F6O — CID 19373976

IUPAC2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal
SMILESO=CC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(6)3(7,1-11)4(8,9)10/h1-2H
InChIKeyYZFLUSOILXTAEZ-UHFFFAOYSA-N
MW180.05 g/mol
LogP1.72
Rot. Bonds2

About 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal

2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal (PubChem CID 19373976) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal
PubChem CID19373976
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal
SMILESO=CC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(6)3(7,1-11)4(8,9)10/h1-2H
InChIKeyYZFLUSOILXTAEZ-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.72
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-(difluoromethyl)-2,3,3,3-tetrafluoropropanal?
The IUPAC name of 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal (CID 19373976) is 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal.
What is the SMILES notation for 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal?
The canonical SMILES for 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal is O=CC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal?
The InChIKey is YZFLUSOILXTAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-2(6)3(7,1-11)4(8,9)10/h1-2H.
What are the key properties of 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal?
2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal has a molecular weight of 180.05 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3,3,3-tetrafluoropropanal is sourced from PubChem (CID 19373976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).