2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid

C6H3F7O2 — CID 77134649

IUPAC2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid
SMILESO=C(O)C(=C(F)F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c7-1-5(10,6(11,12)13)2(3(8)9)4(14)15/h1H2,(H,14,15)
InChIKeyGHBYYJOGTOJADA-UHFFFAOYSA-N
MW240.07 g/mol
LogP2.46
Rot. Bonds3

About 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid

2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid (PubChem CID 77134649) has the molecular formula C6H3F7O2 and a molecular weight of 240.07 g/mol. Its IUPAC name is 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid.

Molecular Properties

Compound Name2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid
PubChem CID77134649
Molecular FormulaC6H3F7O2
Molecular Weight240.07 g/mol
Exact Mass240.00
IUPAC Name2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid
SMILESO=C(O)C(=C(F)F)C(F)(CF)C(F)(F)F
InChIInChI=1S/C6H3F7O2/c7-1-5(10,6(11,12)13)2(3(8)9)4(14)15/h1H2,(H,14,15)
InChIKeyGHBYYJOGTOJADA-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid?
The IUPAC name of 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid (CID 77134649) is 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid.
What is the SMILES notation for 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid?
The canonical SMILES for 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid is O=C(O)C(=C(F)F)C(F)(CF)C(F)(F)F.
What is the InChIKey of 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid?
The InChIKey is GHBYYJOGTOJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7O2/c7-1-5(10,6(11,12)13)2(3(8)9)4(14)15/h1H2,(H,14,15).
What are the key properties of 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid?
2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid has a molecular weight of 240.07 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-3,4,4,4-tetrafluoro-3-(fluoromethyl)butanoic acid is sourced from PubChem (CID 77134649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).