2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane

C16H25F3O2 — CID 22976666

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane
SMILESCC(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H25F3O2/c1-15(16(17,18)19,21-14-4-2-3-7-20-14)10-13-9-11-5-6-12(13)8-11/h11-14H,2-10H2,1H3
InChIKeyYYHDWKSPWMCASH-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.68
Rot. Bonds4

About 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane (PubChem CID 22976666) has the molecular formula C16H25F3O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane
PubChem CID22976666
Molecular FormulaC16H25F3O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane
SMILESCC(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C16H25F3O2/c1-15(16(17,18)19,21-14-4-2-3-7-20-14)10-13-9-11-5-6-12(13)8-11/h11-14H,2-10H2,1H3
InChIKeyYYHDWKSPWMCASH-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane (CID 22976666) is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane is CC(CC1CC2CCC1C2)(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane?
The InChIKey is YYHDWKSPWMCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2/c1-15(16(17,18)19,21-14-4-2-3-7-20-14)10-13-9-11-5-6-12(13)8-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane?
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane has a molecular weight of 306.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane is sourced from PubChem (CID 22976666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).