[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate

C12H14F6O2 — CID 10662252

IUPAC[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(F)(F)C(F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H14F6O2/c1-7(2)8(19)20-10(5-3-4-6-10)11(14,15)9(13)12(16,17)18/h9H,1,3-6H2,2H3
InChIKeyQDYDVWJMKYOGDE-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.95
Rot. Bonds4

About [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate

[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 10662252) has the molecular formula C12H14F6O2 and a molecular weight of 304.23 g/mol. Its IUPAC name is [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate
PubChem CID10662252
Molecular FormulaC12H14F6O2
Molecular Weight304.23 g/mol
Exact Mass304.09
IUPAC Name[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(F)(F)C(F)C(F)(F)F)CCCC1
InChIInChI=1S/C12H14F6O2/c1-7(2)8(19)20-10(5-3-4-6-10)11(14,15)9(13)12(16,17)18/h9H,1,3-6H2,2H3
InChIKeyQDYDVWJMKYOGDE-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate (CID 10662252) is [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(F)(F)C(F)C(F)(F)F)CCCC1.
What is the InChIKey of [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is QDYDVWJMKYOGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6O2/c1-7(2)8(19)20-10(5-3-4-6-10)11(14,15)9(13)12(16,17)18/h9H,1,3-6H2,2H3.
What are the key properties of [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate?
[1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 304.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,2,3,3,3-hexafluoropropyl)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 10662252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).