4,5,5-trifluoro-2-methylpent-4-enoic acid

C6H7F3O2 — CID 22336818

IUPAC4,5,5-trifluoro-2-methylpent-4-enoic acid
SMILESCC(CC(F)=C(F)F)C(=O)O
InChIInChI=1S/C6H7F3O2/c1-3(6(10)11)2-4(7)5(8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyRSDIKDLFQGHCNG-UHFFFAOYSA-N
MW168.11 g/mol
LogP2.17
Rot. Bonds3

About 4,5,5-trifluoro-2-methylpent-4-enoic acid

4,5,5-trifluoro-2-methylpent-4-enoic acid (PubChem CID 22336818) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 4,5,5-trifluoro-2-methylpent-4-enoic acid.

Molecular Properties

Compound Name4,5,5-trifluoro-2-methylpent-4-enoic acid
PubChem CID22336818
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name4,5,5-trifluoro-2-methylpent-4-enoic acid
SMILESCC(CC(F)=C(F)F)C(=O)O
InChIInChI=1S/C6H7F3O2/c1-3(6(10)11)2-4(7)5(8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyRSDIKDLFQGHCNG-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoro-2-methylpent-4-enoic acid?
The IUPAC name of 4,5,5-trifluoro-2-methylpent-4-enoic acid (CID 22336818) is 4,5,5-trifluoro-2-methylpent-4-enoic acid.
What is the SMILES notation for 4,5,5-trifluoro-2-methylpent-4-enoic acid?
The canonical SMILES for 4,5,5-trifluoro-2-methylpent-4-enoic acid is CC(CC(F)=C(F)F)C(=O)O.
What is the InChIKey of 4,5,5-trifluoro-2-methylpent-4-enoic acid?
The InChIKey is RSDIKDLFQGHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-3(6(10)11)2-4(7)5(8)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 4,5,5-trifluoro-2-methylpent-4-enoic acid?
4,5,5-trifluoro-2-methylpent-4-enoic acid has a molecular weight of 168.11 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoro-2-methylpent-4-enoic acid is sourced from PubChem (CID 22336818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).