2,3,5-trifluoropentyl 2-methylprop-2-enoate

C9H13F3O2 — CID 19009485

IUPAC2,3,5-trifluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)CCF
InChIInChI=1S/C9H13F3O2/c1-6(2)9(13)14-5-8(12)7(11)3-4-10/h7-8H,1,3-5H2,2H3
InChIKeyACSLIIRUHUTVDV-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.14
Rot. Bonds6

About 2,3,5-trifluoropentyl 2-methylprop-2-enoate

2,3,5-trifluoropentyl 2-methylprop-2-enoate (PubChem CID 19009485) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,3,5-trifluoropentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,5-trifluoropentyl 2-methylprop-2-enoate
PubChem CID19009485
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,3,5-trifluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)C(F)CCF
InChIInChI=1S/C9H13F3O2/c1-6(2)9(13)14-5-8(12)7(11)3-4-10/h7-8H,1,3-5H2,2H3
InChIKeyACSLIIRUHUTVDV-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.14
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 2,3,5-trifluoropentyl 2-methylprop-2-enoate?
The IUPAC name of 2,3,5-trifluoropentyl 2-methylprop-2-enoate (CID 19009485) is 2,3,5-trifluoropentyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,5-trifluoropentyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,5-trifluoropentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)C(F)CCF.
What is the InChIKey of 2,3,5-trifluoropentyl 2-methylprop-2-enoate?
The InChIKey is ACSLIIRUHUTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-6(2)9(13)14-5-8(12)7(11)3-4-10/h7-8H,1,3-5H2,2H3.
What are the key properties of 2,3,5-trifluoropentyl 2-methylprop-2-enoate?
2,3,5-trifluoropentyl 2-methylprop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoropentyl 2-methylprop-2-enoate is sourced from PubChem (CID 19009485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).