ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate

C8H10F4O2 — CID 10703818

IUPACethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(F)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C8H10F4O2/c1-3-5-7(9,8(10,11)12)6(13)14-4-2/h3H,1,4-5H2,2H3
InChIKeySUDZKPARXJEJBO-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate

ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate (PubChem CID 10703818) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
PubChem CID10703818
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Nameethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(F)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C8H10F4O2/c1-3-5-7(9,8(10,11)12)6(13)14-4-2/h3H,1,4-5H2,2H3
InChIKeySUDZKPARXJEJBO-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate (CID 10703818) is ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate is C=CCC(F)(C(=O)OCC)C(F)(F)F.
What is the InChIKey of ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is SUDZKPARXJEJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O2/c1-3-5-7(9,8(10,11)12)6(13)14-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 214.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 10703818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).