[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane

C13H20F6O — CID 118217409

IUPAC[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
SMILESCC(C)(C)C(OCC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-10(2,3)11(12(14,15)16,13(17,18)19)20-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyWYCGWSLMSJOALT-UHFFFAOYSA-N
MW306.29 g/mol
LogP5.10
Rot. Bonds3

About [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane

[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane (PubChem CID 118217409) has the molecular formula C13H20F6O and a molecular weight of 306.29 g/mol. Its IUPAC name is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane.

Molecular Properties

Compound Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
PubChem CID118217409
Molecular FormulaC13H20F6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
SMILESCC(C)(C)C(OCC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-10(2,3)11(12(14,15)16,13(17,18)19)20-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3
InChIKeyWYCGWSLMSJOALT-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.29
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
(1,1-Difluoro-2-methylpropoxy)methylcyclopentane
CID 58422627
1,1-Difluoropropoxymethylcyclopentane
CID 68233420
1,1,2,2,3,3-Hexafluoro-4,4-dimethyl-1-(2-methylbutan-2-yloxy)hexane
CID 90089631
2-Butan-2-yloxy-3-ethyl-1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pentane
CID 90746954
3,3-Difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane
CID 91284629
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2,2,4-trimethylhexane
CID 91347745
2,5-Dimethyl-3-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]hexane
CID 117672551
1,1-Difluoro-4-[[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethyl]cyclohexane
CID 118217393
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclohexane
CID 118217406
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
CID 118217430

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane?
The IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane (CID 118217409) is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane.
What is the SMILES notation for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane?
The canonical SMILES for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane is CC(C)(C)C(OCC1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane?
The InChIKey is WYCGWSLMSJOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O/c1-10(2,3)11(12(14,15)16,13(17,18)19)20-8-9-6-4-5-7-9/h9H,4-8H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane?
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane has a molecular weight of 306.29 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane is sourced from PubChem (CID 118217409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).