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

C8H10F4O3 — CID 175122945

IUPAC2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(F)(C(=O)OCCO)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-2-3-7(9,8(10,11)12)6(14)15-5-4-13/h2,13H,1,3-5H2
InChIKeyAFPFEXAJMHHXLY-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.37
Rot. Bonds5

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

2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate (PubChem CID 175122945) has the molecular formula C8H10F4O3 and a molecular weight of 230.16 g/mol. Its IUPAC name is 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
PubChem CID175122945
Molecular FormulaC8H10F4O3
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Name2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate
SMILESC=CCC(F)(C(=O)OCCO)C(F)(F)F
InChIInChI=1S/C8H10F4O3/c1-2-3-7(9,8(10,11)12)6(14)15-5-4-13/h2,13H,1,3-5H2
InChIKeyAFPFEXAJMHHXLY-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The IUPAC name of 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate (CID 175122945) is 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The canonical SMILES for 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate is C=CCC(F)(C(=O)OCCO)C(F)(F)F.
What is the InChIKey of 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
The InChIKey is AFPFEXAJMHHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O3/c1-2-3-7(9,8(10,11)12)6(14)15-5-4-13/h2,13H,1,3-5H2.
What are the key properties of 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate?
2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate has a molecular weight of 230.16 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-fluoro-2-(trifluoromethyl)pent-4-enoate is sourced from PubChem (CID 175122945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).