3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid

C6H4F4O2 — CID 22603726

IUPAC3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid
SMILESC=C(C(=O)O)C(F)C(F)=C(F)F
InChIInChI=1S/C6H4F4O2/c1-2(6(11)12)3(7)4(8)5(9)10/h3H,1H2,(H,11,12)
InChIKeyCPKLKRMYYQQVQT-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.04
Rot. Bonds3

About 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid

3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid (PubChem CID 22603726) has the molecular formula C6H4F4O2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid.

Molecular Properties

Compound Name3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid
PubChem CID22603726
Molecular FormulaC6H4F4O2
Molecular Weight184.09 g/mol
Exact Mass184.01
IUPAC Name3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid
SMILESC=C(C(=O)O)C(F)C(F)=C(F)F
InChIInChI=1S/C6H4F4O2/c1-2(6(11)12)3(7)4(8)5(9)10/h3H,1H2,(H,11,12)
InChIKeyCPKLKRMYYQQVQT-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.04
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 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid?
The IUPAC name of 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid (CID 22603726) is 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid.
What is the SMILES notation for 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid?
The canonical SMILES for 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid is C=C(C(=O)O)C(F)C(F)=C(F)F.
What is the InChIKey of 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid?
The InChIKey is CPKLKRMYYQQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4O2/c1-2(6(11)12)3(7)4(8)5(9)10/h3H,1H2,(H,11,12).
What are the key properties of 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid?
3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid has a molecular weight of 184.09 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetrafluoro-2-methylidenepent-4-enoic acid is sourced from PubChem (CID 22603726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).