5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid

C8H9F5O2 — CID 23149374

IUPAC5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid
SMILESCC(C)(CC(=C(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H9F5O2/c1-7(2,6(14)15)3-4(5(9)10)8(11,12)13/h3H2,1-2H3,(H,14,15)
InChIKeyWMDHFGUCCPVFCL-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.20
Rot. Bonds3

About 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid

5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid (PubChem CID 23149374) has the molecular formula C8H9F5O2 and a molecular weight of 232.15 g/mol. Its IUPAC name is 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid.

Molecular Properties

Compound Name5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid
PubChem CID23149374
Molecular FormulaC8H9F5O2
Molecular Weight232.15 g/mol
Exact Mass232.05
IUPAC Name5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid
SMILESCC(C)(CC(=C(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H9F5O2/c1-7(2,6(14)15)3-4(5(9)10)8(11,12)13/h3H2,1-2H3,(H,14,15)
InChIKeyWMDHFGUCCPVFCL-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid?
The IUPAC name of 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid (CID 23149374) is 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid.
What is the SMILES notation for 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid?
The canonical SMILES for 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid is CC(C)(CC(=C(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid?
The InChIKey is WMDHFGUCCPVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5O2/c1-7(2,6(14)15)3-4(5(9)10)8(11,12)13/h3H2,1-2H3,(H,14,15).
What are the key properties of 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid?
5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid has a molecular weight of 232.15 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,2-dimethyl-4-(trifluoromethyl)pent-4-enoic acid is sourced from PubChem (CID 23149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).