2,2-difluoro-3,3-dimethylpent-4-enoic acid

C7H10F2O2 — CID 11843583

IUPAC2,2-difluoro-3,3-dimethylpent-4-enoic acid
SMILESC=CC(C)(C)C(F)(F)C(=O)O
InChIInChI=1S/C7H10F2O2/c1-4-6(2,3)7(8,9)5(10)11/h4H,1H2,2-3H3,(H,10,11)
InChIKeyQUIIZMLRXFMPTC-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.92
Rot. Bonds3

About 2,2-difluoro-3,3-dimethylpent-4-enoic acid

2,2-difluoro-3,3-dimethylpent-4-enoic acid (PubChem CID 11843583) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylpent-4-enoic acid
PubChem CID11843583
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2,2-difluoro-3,3-dimethylpent-4-enoic acid
SMILESC=CC(C)(C)C(F)(F)C(=O)O
InChIInChI=1S/C7H10F2O2/c1-4-6(2,3)7(8,9)5(10)11/h4H,1H2,2-3H3,(H,10,11)
InChIKeyQUIIZMLRXFMPTC-UHFFFAOYSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-pentenoic acid
CID 140065
3,3-Dimethylpent-4-enoic acid
CID 10630499
4-Pentenoic acid, 2-(trifluoromethyl)-
CID 11805141
2-Ethyl-2-methylbut-3-enoic acid
CID 14793166
2-Fluoro-2-(trifluoromethyl)pent-4-enoic acid
CID 13239881
2,2-Difluoro-3-methyl-4-pentenoic acid
CID 14088474
3-Methyl-2-(trifluoromethyl)pent-4-enoic acid
CID 13332041
2-Fluoro-3-methyl-4-pentenoic acid
CID 13528822
2-Prop-2-enyl-2-(trifluoromethyl)pent-4-enoic acid
CID 25148922
3-(Trifluoromethyl)pent-4-enoic acid
CID 129796312
(2R,3S)-2-Fluoro-3-methyl-pent-4-enoic acid
CID 10887943
(2R,3R)-2-fluoro-3-methyl-pent-4-enoic Acid
CID 11083921

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethylpent-4-enoic acid?
The IUPAC name of 2,2-difluoro-3,3-dimethylpent-4-enoic acid (CID 11843583) is 2,2-difluoro-3,3-dimethylpent-4-enoic acid.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylpent-4-enoic acid?
The canonical SMILES for 2,2-difluoro-3,3-dimethylpent-4-enoic acid is C=CC(C)(C)C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3,3-dimethylpent-4-enoic acid?
The InChIKey is QUIIZMLRXFMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-4-6(2,3)7(8,9)5(10)11/h4H,1H2,2-3H3,(H,10,11).
What are the key properties of 2,2-difluoro-3,3-dimethylpent-4-enoic acid?
2,2-difluoro-3,3-dimethylpent-4-enoic acid has a molecular weight of 164.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylpent-4-enoic acid is sourced from PubChem (CID 11843583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).