2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate

C12H12F8O2 — CID 11186843

IUPAC2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F8O2/c1-5(2)6(21)22-8(3,4)9(14)7(13)10(15,16)12(19,20)11(9,17)18/h7H,1H2,2-4H3
InChIKeySNBVXDYOEOCYKM-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.85
Rot. Bonds3

About 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate

2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 11186843) has the molecular formula C12H12F8O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID11186843
Molecular FormulaC12H12F8O2
Molecular Weight340.21 g/mol
Exact Mass340.07
IUPAC Name2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F8O2/c1-5(2)6(21)22-8(3,4)9(14)7(13)10(15,16)12(19,20)11(9,17)18/h7H,1H2,2-4H3
InChIKeySNBVXDYOEOCYKM-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 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 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate (CID 11186843) is 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1(F)C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is SNBVXDYOEOCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F8O2/c1-5(2)6(21)22-8(3,4)9(14)7(13)10(15,16)12(19,20)11(9,17)18/h7H,1H2,2-4H3.
What are the key properties of 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate?
2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 340.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5-octafluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 11186843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).