[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate

C16H10F6O4 — CID 11552638

IUPAC[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1C2C3c4ccccc4C1[C@H](OC(=O)C(F)(F)F)C32)C(F)(F)F
InChIInChI=1S/C16H10F6O4/c17-15(18,19)13(23)25-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)26-14(24)16(20,21)22/h1-4,7-12H/t7?,8?,9?,10?,11-,12-/m0/s1
InChIKeyJKICSUIWFXHEAK-HRMDSCKTSA-N
MW380.24 g/mol
LogP3.08
Rot. Bonds2

About [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate

[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate (PubChem CID 11552638) has the molecular formula C16H10F6O4 and a molecular weight of 380.24 g/mol. Its IUPAC name is [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate
PubChem CID11552638
Molecular FormulaC16H10F6O4
Molecular Weight380.24 g/mol
Exact Mass380.05
IUPAC Name[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1C2C3c4ccccc4C1[C@H](OC(=O)C(F)(F)F)C32)C(F)(F)F
InChIInChI=1S/C16H10F6O4/c17-15(18,19)13(23)25-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)26-14(24)16(20,21)22/h1-4,7-12H/t7?,8?,9?,10?,11-,12-/m0/s1
InChIKeyJKICSUIWFXHEAK-HRMDSCKTSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

[(1S,8R,9S,12R)-8-(2,2,2-trifluoroacetyl)oxy-12-tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraenyl] 2,2,2-trifluoroacetate
CID 11603315
[(1S,8S,9S,12R)-8-(2,2,2-trifluoroacetyl)oxy-12-tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraenyl] 2,2,2-trifluoroacetate
CID 102182615
[(9S,11R)-11-(2,2,2-trifluoroacetyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,2,2-trifluoroacetate
CID 102182617
[(9R,12S)-12-(2,2,2-trifluoroacetyl)oxy-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl] 2,2,2-trifluoroacetate
CID 102182618
10-Tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl acetate
CID 23270979

Frequently Asked Questions

What is the IUPAC name of [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate (CID 11552638) is [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate is O=C(O[C@@H]1C2C3c4ccccc4C1[C@H](OC(=O)C(F)(F)F)C32)C(F)(F)F.
What is the InChIKey of [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate?
The InChIKey is JKICSUIWFXHEAK-HRMDSCKTSA-N. The full InChI is InChI=1S/C16H10F6O4/c17-15(18,19)13(23)25-11-8-6-4-2-1-3-5(6)7-9(11)10(7)12(8)26-14(24)16(20,21)22/h1-4,7-12H/t7?,8?,9?,10?,11-,12-/m0/s1.
What are the key properties of [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate?
[(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate has a molecular weight of 380.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(10R,12R)-12-(2,2,2-trifluoroacetyl)oxy-10-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 11552638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).