2,2,3,3-tetrafluoropropanal

C3H2F4O — CID 13152367

IUPAC2,2,3,3-tetrafluoropropanal
SMILESO=CC(F)(F)C(F)F
InChIInChI=1S/C3H2F4O/c4-2(5)3(6,7)1-8/h1-2H
InChIKeyNPALSCWRCKJVLK-UHFFFAOYSA-N
MW130.04 g/mol
LogP1.09
Rot. Bonds2

About 2,2,3,3-tetrafluoropropanal

2,2,3,3-tetrafluoropropanal (PubChem CID 13152367) has the molecular formula C3H2F4O and a molecular weight of 130.04 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropanal.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropanal
PubChem CID13152367
Molecular FormulaC3H2F4O
Molecular Weight130.04 g/mol
Exact Mass130.00
IUPAC Name2,2,3,3-tetrafluoropropanal
SMILESO=CC(F)(F)C(F)F
InChIInChI=1S/C3H2F4O/c4-2(5)3(6,7)1-8/h1-2H
InChIKeyNPALSCWRCKJVLK-UHFFFAOYSA-N
XLogP1.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.04
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropanal?
The IUPAC name of 2,2,3,3-tetrafluoropropanal (CID 13152367) is 2,2,3,3-tetrafluoropropanal.
What is the SMILES notation for 2,2,3,3-tetrafluoropropanal?
The canonical SMILES for 2,2,3,3-tetrafluoropropanal is O=CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropanal?
The InChIKey is NPALSCWRCKJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O/c4-2(5)3(6,7)1-8/h1-2H.
What are the key properties of 2,2,3,3-tetrafluoropropanal?
2,2,3,3-tetrafluoropropanal has a molecular weight of 130.04 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropanal is sourced from PubChem (CID 13152367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).