1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate

C9H10F6O2 — CID 19024311

IUPAC1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C9H10F6O2/c1-3(2)9(16)17-8(15)6(12)4(10)5(11)7(13)14/h4-8H,1H2,2H3
InChIKeyAENNFETZXPQWQA-UHFFFAOYSA-N
MW264.17 g/mol
LogP2.68
Rot. Bonds6

About 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate

1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate (PubChem CID 19024311) has the molecular formula C9H10F6O2 and a molecular weight of 264.17 g/mol. Its IUPAC name is 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate
PubChem CID19024311
Molecular FormulaC9H10F6O2
Molecular Weight264.17 g/mol
Exact Mass264.06
IUPAC Name1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C9H10F6O2/c1-3(2)9(16)17-8(15)6(12)4(10)5(11)7(13)14/h4-8H,1H2,2H3
InChIKeyAENNFETZXPQWQA-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 52.68
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 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate?
The IUPAC name of 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate (CID 19024311) is 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate?
The canonical SMILES for 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate?
The InChIKey is AENNFETZXPQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O2/c1-3(2)9(16)17-8(15)6(12)4(10)5(11)7(13)14/h4-8H,1H2,2H3.
What are the key properties of 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate?
1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate has a molecular weight of 264.17 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5-hexafluoropentyl 2-methylprop-2-enoate is sourced from PubChem (CID 19024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).