8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate

C13H18F2O2 — CID 59602353

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C13H18F2O2/c1-13(14,15)12(16)17-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6H2,1H3
InChIKeyRZXHGLPBTFJJPC-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.01
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate

8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate (PubChem CID 59602353) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate
PubChem CID59602353
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C13H18F2O2/c1-13(14,15)12(16)17-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6H2,1H3
InChIKeyRZXHGLPBTFJJPC-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate (CID 59602353) is 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate?
The InChIKey is RZXHGLPBTFJJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-13(14,15)12(16)17-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6H2,1H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate?
8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate has a molecular weight of 244.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate is sourced from PubChem (CID 59602353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).