prop-2-enyl 2-(fluoromethyl)prop-2-enoate

C7H9FO2 — CID 67041234

IUPACprop-2-enyl 2-(fluoromethyl)prop-2-enoate
SMILESC=CCOC(=O)C(=C)CF
InChIInChI=1S/C7H9FO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4-5H2
InChIKeyPBRVALQSBFGIGU-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.24
Rot. Bonds4

About prop-2-enyl 2-(fluoromethyl)prop-2-enoate

prop-2-enyl 2-(fluoromethyl)prop-2-enoate (PubChem CID 67041234) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is prop-2-enyl 2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(fluoromethyl)prop-2-enoate
PubChem CID67041234
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Nameprop-2-enyl 2-(fluoromethyl)prop-2-enoate
SMILESC=CCOC(=O)C(=C)CF
InChIInChI=1S/C7H9FO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4-5H2
InChIKeyPBRVALQSBFGIGU-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(fluoromethyl)prop-2-enoate?
The IUPAC name of prop-2-enyl 2-(fluoromethyl)prop-2-enoate (CID 67041234) is prop-2-enyl 2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for prop-2-enyl 2-(fluoromethyl)prop-2-enoate is C=CCOC(=O)C(=C)CF.
What is the InChIKey of prop-2-enyl 2-(fluoromethyl)prop-2-enoate?
The InChIKey is PBRVALQSBFGIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4-5H2.
What are the key properties of prop-2-enyl 2-(fluoromethyl)prop-2-enoate?
prop-2-enyl 2-(fluoromethyl)prop-2-enoate has a molecular weight of 144.14 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 67041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).