(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane

C10H12F4O — CID 102111122

IUPAC(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane
SMILESFC1(F)OC2C[C@@]3(F)CC1C[C@@](F)(C2)C3
InChIInChI=1S/C10H12F4O/c11-8-1-6-2-9(12,5-8)4-7(3-8)15-10(6,13)14/h6-7H,1-5H2/t6?,7?,8-,9+
InChIKeyYHGJBCYJSPOWHB-WZENYGAOSA-N
MW224.20 g/mol
LogP2.99
Rot. Bonds

About (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane

(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane (PubChem CID 102111122) has the molecular formula C10H12F4O and a molecular weight of 224.20 g/mol. Its IUPAC name is (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane
PubChem CID102111122
Molecular FormulaC10H12F4O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane
SMILESFC1(F)OC2C[C@@]3(F)CC1C[C@@](F)(C2)C3
InChIInChI=1S/C10H12F4O/c11-8-1-6-2-9(12,5-8)4-7(3-8)15-10(6,13)14/h6-7H,1-5H2/t6?,7?,8-,9+
InChIKeyYHGJBCYJSPOWHB-WZENYGAOSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane?
The IUPAC name of (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane (CID 102111122) is (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane is FC1(F)OC2C[C@@]3(F)CC1C[C@@](F)(C2)C3.
What is the InChIKey of (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane?
The InChIKey is YHGJBCYJSPOWHB-WZENYGAOSA-N. The full InChI is InChI=1S/C10H12F4O/c11-8-1-6-2-9(12,5-8)4-7(3-8)15-10(6,13)14/h6-7H,1-5H2/t6?,7?,8-,9+.
What are the key properties of (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane?
(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane has a molecular weight of 224.20 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 102111122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).