butyl 2-fluoroprop-2-enoate

C7H11FO2 — CID 10931569

IUPACbutyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCC
InChIInChI=1S/C7H11FO2/c1-3-4-5-10-7(9)6(2)8/h2-5H2,1H3
InChIKeyNMGALRPUJDUYEO-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.81
Rot. Bonds4

About butyl 2-fluoroprop-2-enoate

butyl 2-fluoroprop-2-enoate (PubChem CID 10931569) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is butyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-fluoroprop-2-enoate
PubChem CID10931569
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Namebutyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCC
InChIInChI=1S/C7H11FO2/c1-3-4-5-10-7(9)6(2)8/h2-5H2,1H3
InChIKeyNMGALRPUJDUYEO-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze butyl 2-fluoroprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 2-fluoroprop-2-enoate?
The IUPAC name of butyl 2-fluoroprop-2-enoate (CID 10931569) is butyl 2-fluoroprop-2-enoate.
What is the SMILES notation for butyl 2-fluoroprop-2-enoate?
The canonical SMILES for butyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCCC.
What is the InChIKey of butyl 2-fluoroprop-2-enoate?
The InChIKey is NMGALRPUJDUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-3-4-5-10-7(9)6(2)8/h2-5H2,1H3.
What are the key properties of butyl 2-fluoroprop-2-enoate?
butyl 2-fluoroprop-2-enoate has a molecular weight of 146.16 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 10931569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).