[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane

C9H9F9O — CID 54097445

IUPAC[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane
SMILESFC(F)(F)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c10-7(11,12)6(8(13,14)15,9(16,17)18)19-5-3-1-2-4-5/h5H,1-4H2
InChIKeyMYCPHBBYFTUEMC-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.37
Rot. Bonds2

About [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane (PubChem CID 54097445) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane
PubChem CID54097445
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane
SMILESFC(F)(F)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c10-7(11,12)6(8(13,14)15,9(16,17)18)19-5-3-1-2-4-5/h5H,1-4H2
InChIKeyMYCPHBBYFTUEMC-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane (CID 54097445) is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane is FC(F)(F)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane?
The InChIKey is MYCPHBBYFTUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c10-7(11,12)6(8(13,14)15,9(16,17)18)19-5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane?
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane has a molecular weight of 304.15 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentane is sourced from PubChem (CID 54097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).