1-fluoroprop-2-enyl prop-2-enoate

C6H7FO2 — CID 87065178

IUPAC1-fluoroprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(F)C=C
InChIInChI=1S/C6H7FO2/c1-3-5(7)9-6(8)4-2/h3-5H,1-2H2
InChIKeyVRZUVZLWVDKCRU-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.20
Rot. Bonds3

About 1-fluoroprop-2-enyl prop-2-enoate

1-fluoroprop-2-enyl prop-2-enoate (PubChem CID 87065178) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is 1-fluoroprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name1-fluoroprop-2-enyl prop-2-enoate
PubChem CID87065178
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name1-fluoroprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC(F)C=C
InChIInChI=1S/C6H7FO2/c1-3-5(7)9-6(8)4-2/h3-5H,1-2H2
InChIKeyVRZUVZLWVDKCRU-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.20
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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Related Compounds

bis(1-fluoroprop-2-enyl) oxalate
CID 174444690
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-silylprop-2-enyl prop-2-enoate
CID 173000207
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
lithium 2-prop-2-enoyloxypropanoate
CID 157433958
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
CID 175090999
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763

Frequently Asked Questions

What is the IUPAC name of 1-fluoroprop-2-enyl prop-2-enoate?
The IUPAC name of 1-fluoroprop-2-enyl prop-2-enoate (CID 87065178) is 1-fluoroprop-2-enyl prop-2-enoate.
What is the SMILES notation for 1-fluoroprop-2-enyl prop-2-enoate?
The canonical SMILES for 1-fluoroprop-2-enyl prop-2-enoate is C=CC(=O)OC(F)C=C.
What is the InChIKey of 1-fluoroprop-2-enyl prop-2-enoate?
The InChIKey is VRZUVZLWVDKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c1-3-5(7)9-6(8)4-2/h3-5H,1-2H2.
What are the key properties of 1-fluoroprop-2-enyl prop-2-enoate?
1-fluoroprop-2-enyl prop-2-enoate has a molecular weight of 130.12 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroprop-2-enyl prop-2-enoate is sourced from PubChem (CID 87065178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).