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

C7H11FO2 — CID 55302929

IUPAC3-fluoro-2,2-dimethylpent-4-enoic acid
SMILESC=CC(F)C(C)(C)C(=O)O
InChIInChI=1S/C7H11FO2/c1-4-5(8)7(2,3)6(9)10/h4-5H,1H2,2-3H3,(H,9,10)
InChIKeyKDBRYFSDTFWYBW-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.62
Rot. Bonds3

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

3-fluoro-2,2-dimethylpent-4-enoic acid (PubChem CID 55302929) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name3-fluoro-2,2-dimethylpent-4-enoic acid
PubChem CID55302929
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name3-fluoro-2,2-dimethylpent-4-enoic acid
SMILESC=CC(F)C(C)(C)C(=O)O
InChIInChI=1S/C7H11FO2/c1-4-5(8)7(2,3)6(9)10/h4-5H,1H2,2-3H3,(H,9,10)
InChIKeyKDBRYFSDTFWYBW-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.62
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

3,4-difluoro-2,2-dimethylbutanoic acid
CID 175217464
(2R,3S)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124540
(2R,3R)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124542
(2R,3S)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026554
(2R,3R)-2-hydroxy-2,3-dimethylpent-4-enoic acid
CID 13026555
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
2-ethenyl-2-methylbut-3-enoic acid
CID 54134435
2-but-3-en-2-yloxy-2-methylpropanoic acid
CID 146545300
2,3,3-trimethylpent-4-enoic acid
CID 549584
3,4,4,5,6,6-hexafluorohept-1-ene
CID 141339436
2,3,3-trifluoro-2-methylpropanoic acid
CID 20511543
azane;2-fluorobut-3-enoic acid
CID 173159919

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethylpent-4-enoic acid?
The IUPAC name of 3-fluoro-2,2-dimethylpent-4-enoic acid (CID 55302929) is 3-fluoro-2,2-dimethylpent-4-enoic acid.
What is the SMILES notation for 3-fluoro-2,2-dimethylpent-4-enoic acid?
The canonical SMILES for 3-fluoro-2,2-dimethylpent-4-enoic acid is C=CC(F)C(C)(C)C(=O)O.
What is the InChIKey of 3-fluoro-2,2-dimethylpent-4-enoic acid?
The InChIKey is KDBRYFSDTFWYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-4-5(8)7(2,3)6(9)10/h4-5H,1H2,2-3H3,(H,9,10).
What are the key properties of 3-fluoro-2,2-dimethylpent-4-enoic acid?
3-fluoro-2,2-dimethylpent-4-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethylpent-4-enoic acid is sourced from PubChem (CID 55302929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).