2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate

C10H11F5O2 — CID 91694330

IUPAC2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OC1CC2CCC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)8(16)17-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyDYDJCCIHYJFJPQ-UHFFFAOYSA-N
MW258.19 g/mol
LogP2.92
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate

2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91694330) has the molecular formula C10H11F5O2 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91694330
Molecular FormulaC10H11F5O2
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OC1CC2CCC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)8(16)17-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyDYDJCCIHYJFJPQ-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate 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-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate (CID 91694330) is 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate is O=C(OC1CC2CCC1C2)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DYDJCCIHYJFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)8(16)17-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate?
2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 258.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91694330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).