2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid

C12H19FO2 — CID 162405724

IUPAC2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid
SMILESC=CCC(F)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H19FO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,14,15)
InChIKeyIDROXCGQRNVFSJ-UHFFFAOYSA-N
MW214.28 g/mol
LogP3.33
Rot. Bonds5

About 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid

2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid (PubChem CID 162405724) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid
PubChem CID162405724
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid
SMILESC=CCC(F)(CC1CCCCC1)C(=O)O
InChIInChI=1S/C12H19FO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,14,15)
InChIKeyIDROXCGQRNVFSJ-UHFFFAOYSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.33
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 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid?
The IUPAC name of 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid (CID 162405724) is 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid is C=CCC(F)(CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid?
The InChIKey is IDROXCGQRNVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO2/c1-2-8-12(13,11(14)15)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,14,15).
What are the key properties of 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid?
2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid has a molecular weight of 214.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-fluoropent-4-enoic acid is sourced from PubChem (CID 162405724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).