methyl 3-cyclopropyl-2-fluoroprop-2-enoate

C7H9FO2 — CID 67848628

IUPACmethyl 3-cyclopropyl-2-fluoroprop-2-enoate
SMILESCOC(=O)C(F)=CC1CC1
InChIInChI=1S/C7H9FO2/c1-10-7(9)6(8)4-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyHGKSSIYWSUWPBR-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.42
Rot. Bonds2

About methyl 3-cyclopropyl-2-fluoroprop-2-enoate

methyl 3-cyclopropyl-2-fluoroprop-2-enoate (PubChem CID 67848628) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is methyl 3-cyclopropyl-2-fluoroprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-2-fluoroprop-2-enoate
PubChem CID67848628
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Namemethyl 3-cyclopropyl-2-fluoroprop-2-enoate
SMILESCOC(=O)C(F)=CC1CC1
InChIInChI=1S/C7H9FO2/c1-10-7(9)6(8)4-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyHGKSSIYWSUWPBR-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 3-cyclopropyl-2-fluoroprop-2-enoate?
The IUPAC name of methyl 3-cyclopropyl-2-fluoroprop-2-enoate (CID 67848628) is methyl 3-cyclopropyl-2-fluoroprop-2-enoate.
What is the SMILES notation for methyl 3-cyclopropyl-2-fluoroprop-2-enoate?
The canonical SMILES for methyl 3-cyclopropyl-2-fluoroprop-2-enoate is COC(=O)C(F)=CC1CC1.
What is the InChIKey of methyl 3-cyclopropyl-2-fluoroprop-2-enoate?
The InChIKey is HGKSSIYWSUWPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-10-7(9)6(8)4-5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-cyclopropyl-2-fluoroprop-2-enoate?
methyl 3-cyclopropyl-2-fluoroprop-2-enoate has a molecular weight of 144.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-2-fluoroprop-2-enoate is sourced from PubChem (CID 67848628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).