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

C12H16F2O2 — CID 58225878

IUPAC8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate
SMILESO=C(OC1CC2CC1C1CCCC21)C(F)F
InChIInChI=1S/C12H16F2O2/c13-11(14)12(15)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2
InChIKeyDIQQSBQLCPTJNA-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.62
Rot. Bonds2

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

8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate (PubChem CID 58225878) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate
PubChem CID58225878
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate
SMILESO=C(OC1CC2CC1C1CCCC21)C(F)F
InChIInChI=1S/C12H16F2O2/c13-11(14)12(15)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2
InChIKeyDIQQSBQLCPTJNA-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.62
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-difluoroacetate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate (CID 58225878) is 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate is O=C(OC1CC2CC1C1CCCC21)C(F)F.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate?
The InChIKey is DIQQSBQLCPTJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c13-11(14)12(15)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate?
8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate has a molecular weight of 230.25 g/mol, XLogP of 2.62, 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-difluoroacetate is sourced from PubChem (CID 58225878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).