4,4,5,5-tetrafluoro-2-methylidenehexanoic acid

C7H8F4O2 — CID 19864738

IUPAC4,4,5,5-tetrafluoro-2-methylidenehexanoic acid
SMILESC=C(CC(F)(F)C(C)(F)F)C(=O)O
InChIInChI=1S/C7H8F4O2/c1-4(5(12)13)3-7(10,11)6(2,8)9/h1,3H2,2H3,(H,12,13)
InChIKeyFEKCOGYPXUODJV-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.31
Rot. Bonds4

About 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid

4,4,5,5-tetrafluoro-2-methylidenehexanoic acid (PubChem CID 19864738) has the molecular formula C7H8F4O2 and a molecular weight of 200.13 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-methylidenehexanoic acid
PubChem CID19864738
Molecular FormulaC7H8F4O2
Molecular Weight200.13 g/mol
Exact Mass200.05
IUPAC Name4,4,5,5-tetrafluoro-2-methylidenehexanoic acid
SMILESC=C(CC(F)(F)C(C)(F)F)C(=O)O
InChIInChI=1S/C7H8F4O2/c1-4(5(12)13)3-7(10,11)6(2,8)9/h1,3H2,2H3,(H,12,13)
InChIKeyFEKCOGYPXUODJV-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid?
The IUPAC name of 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid (CID 19864738) is 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid is C=C(CC(F)(F)C(C)(F)F)C(=O)O.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid?
The InChIKey is FEKCOGYPXUODJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2/c1-4(5(12)13)3-7(10,11)6(2,8)9/h1,3H2,2H3,(H,12,13).
What are the key properties of 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid?
4,4,5,5-tetrafluoro-2-methylidenehexanoic acid has a molecular weight of 200.13 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-methylidenehexanoic acid is sourced from PubChem (CID 19864738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).