(E)-2-fluoro-4,4-dimethylpent-2-enoic acid

C7H11FO2 — CID 19373367

IUPAC(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
SMILESCC(C)(C)/C=C(/F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-7(2,3)4-5(8)6(9)10/h4H,1-3H3,(H,9,10)/b5-4+
InChIKeyIQCLDYBPZCKMNJ-SNAWJCMRSA-N
MW146.16 g/mol
LogP1.97
Rot. Bonds1

About (E)-2-fluoro-4,4-dimethylpent-2-enoic acid

(E)-2-fluoro-4,4-dimethylpent-2-enoic acid (PubChem CID 19373367) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E)-2-fluoro-4,4-dimethylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
PubChem CID19373367
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
SMILESCC(C)(C)/C=C(/F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-7(2,3)4-5(8)6(9)10/h4H,1-3H3,(H,9,10)/b5-4+
InChIKeyIQCLDYBPZCKMNJ-SNAWJCMRSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-2-fluoro-4,4-dimethylpent-2-enoic acid?
The IUPAC name of (E)-2-fluoro-4,4-dimethylpent-2-enoic acid (CID 19373367) is (E)-2-fluoro-4,4-dimethylpent-2-enoic acid.
What is the SMILES notation for (E)-2-fluoro-4,4-dimethylpent-2-enoic acid?
The canonical SMILES for (E)-2-fluoro-4,4-dimethylpent-2-enoic acid is CC(C)(C)/C=C(/F)C(=O)O.
What is the InChIKey of (E)-2-fluoro-4,4-dimethylpent-2-enoic acid?
The InChIKey is IQCLDYBPZCKMNJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FO2/c1-7(2,3)4-5(8)6(9)10/h4H,1-3H3,(H,9,10)/b5-4+.
What are the key properties of (E)-2-fluoro-4,4-dimethylpent-2-enoic acid?
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-4,4-dimethylpent-2-enoic acid is sourced from PubChem (CID 19373367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).