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

C7H11FO2 — CID 55302357

IUPAC(2R)-2-fluoro-2,4-dimethylpent-4-enoic acid
SMILESC=C(C)C[C@@](C)(F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-5(2)4-7(3,8)6(9)10/h1,4H2,2-3H3,(H,9,10)/t7-/m1/s1
InChIKeyRCBACCHPZYCJML-SSDOTTSWSA-N
MW146.16 g/mol
LogP1.77
Rot. Bonds3

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

(2R)-2-fluoro-2,4-dimethylpent-4-enoic acid (PubChem CID 55302357) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-fluoro-2,4-dimethylpent-4-enoic acid
PubChem CID55302357
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(2R)-2-fluoro-2,4-dimethylpent-4-enoic acid
SMILESC=C(C)C[C@@](C)(F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-5(2)4-7(3,8)6(9)10/h1,4H2,2-3H3,(H,9,10)/t7-/m1/s1
InChIKeyRCBACCHPZYCJML-SSDOTTSWSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid?
The IUPAC name of (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid (CID 55302357) is (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid.
What is the SMILES notation for (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid?
The canonical SMILES for (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid is C=C(C)C[C@@](C)(F)C(=O)O.
What is the InChIKey of (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid?
The InChIKey is RCBACCHPZYCJML-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(2)4-7(3,8)6(9)10/h1,4H2,2-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid?
(2R)-2-fluoro-2,4-dimethylpent-4-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2,4-dimethylpent-4-enoic acid is sourced from PubChem (CID 55302357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).