3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid

C7H5F7O3 — CID 18668079

IUPAC3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid
SMILESC=C(C(=O)O)C(F)C(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C7H5F7O3/c1-2(4(15)16)3(8)6(10,11)5(9)17-7(12,13)14/h3,5H,1H2,(H,15,16)
InChIKeyJGINOVSWZLZGBA-UHFFFAOYSA-N
MW270.10 g/mol
LogP2.43
Rot. Bonds5

About 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid

3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid (PubChem CID 18668079) has the molecular formula C7H5F7O3 and a molecular weight of 270.10 g/mol. Its IUPAC name is 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid.

Molecular Properties

Compound Name3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid
PubChem CID18668079
Molecular FormulaC7H5F7O3
Molecular Weight270.10 g/mol
Exact Mass270.01
IUPAC Name3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid
SMILESC=C(C(=O)O)C(F)C(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C7H5F7O3/c1-2(4(15)16)3(8)6(10,11)5(9)17-7(12,13)14/h3,5H,1H2,(H,15,16)
InChIKeyJGINOVSWZLZGBA-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid?
The IUPAC name of 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid (CID 18668079) is 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid.
What is the SMILES notation for 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid?
The canonical SMILES for 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid is C=C(C(=O)O)C(F)C(F)(F)C(F)OC(F)(F)F.
What is the InChIKey of 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid?
The InChIKey is JGINOVSWZLZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O3/c1-2(4(15)16)3(8)6(10,11)5(9)17-7(12,13)14/h3,5H,1H2,(H,15,16).
What are the key properties of 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid?
3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid has a molecular weight of 270.10 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetrafluoro-2-methylidene-5-(trifluoromethoxy)pentanoic acid is sourced from PubChem (CID 18668079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).