2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane

C18H25F5O3 — CID 23405419

IUPAC2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC1C(C2C(C)C(F)(F)OC2(F)F)C2CCC1C2(F)OC1CCCCO1
InChIInChI=1S/C18H25F5O3/c1-9-11-6-7-12(16(11,19)25-13-5-3-4-8-24-13)14(9)15-10(2)17(20,21)26-18(15,22)23/h9-15H,3-8H2,1-2H3
InChIKeyNEHXZNCCZABVRO-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.96
Rot. Bonds3

About 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane

2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane (PubChem CID 23405419) has the molecular formula C18H25F5O3 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane.

Molecular Properties

Compound Name2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane
PubChem CID23405419
Molecular FormulaC18H25F5O3
Molecular Weight384.39 g/mol
Exact Mass384.17
IUPAC Name2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESCC1C(C2C(C)C(F)(F)OC2(F)F)C2CCC1C2(F)OC1CCCCO1
InChIInChI=1S/C18H25F5O3/c1-9-11-6-7-12(16(11,19)25-13-5-3-4-8-24-13)14(9)15-10(2)17(20,21)26-18(15,22)23/h9-15H,3-8H2,1-2H3
InChIKeyNEHXZNCCZABVRO-UHFFFAOYSA-N
XLogP4.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane?
The IUPAC name of 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane (CID 23405419) is 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane.
What is the SMILES notation for 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane?
The canonical SMILES for 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane is CC1C(C2C(C)C(F)(F)OC2(F)F)C2CCC1C2(F)OC1CCCCO1.
What is the InChIKey of 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane?
The InChIKey is NEHXZNCCZABVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F5O3/c1-9-11-6-7-12(16(11,19)25-13-5-3-4-8-24-13)14(9)15-10(2)17(20,21)26-18(15,22)23/h9-15H,3-8H2,1-2H3.
What are the key properties of 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane?
2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane has a molecular weight of 384.39 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane is sourced from PubChem (CID 23405419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).