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

C12H18F6O — CID 118217430

IUPAC[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
SMILESCC(C)(C)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyZPFNTRPJWOOATC-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.86
Rot. Bonds2

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

[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane (PubChem CID 118217430) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane.

Molecular Properties

Compound Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
PubChem CID118217430
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane
SMILESCC(C)(C)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyZPFNTRPJWOOATC-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxycyclopentane
CID 13709899
(1,1,1-Trifluoro-2-methylbutan-2-yl)oxycyclopentane
CID 59422969
1-Butan-2-yloxy-1,1,2,2-tetrafluoro-3,3-dimethylpentane
CID 117749530
1,1,1-Trifluoro-3,3-dimethyl-2-propan-2-yloxy-2-(trifluoromethyl)butane
CID 118217388
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
CID 118217409
4-[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
CID 118217426
(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxycyclopentane
CID 134373480
3,3,5-Trimethyl-2,2-bis(trifluoromethyl)oxolane
CID 163446042
3,5-Dimethyl-2,2,3-tris(trifluoromethyl)oxolane
CID 166899224
1,1,1,3,3-Pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane
CID 166965007
1,1,1-Trifluoro-3-(3-fluorobutoxy)-2,2,3-trimethylbutane
CID 175617728
3-(3,3-Difluorobutoxy)-1,1-difluoro-2,2,3-trimethylbutane
CID 175617743

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane?
The IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane (CID 118217430) is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane.
What is the SMILES notation for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane?
The canonical SMILES for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane is CC(C)(C)C(OC1CCCC1)(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]oxycyclopentane?
The InChIKey is ZPFNTRPJWOOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane?
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxycyclopentane has a molecular weight of 292.26 g/mol, XLogP of 4.86, 2 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]oxycyclopentane is sourced from PubChem (CID 118217430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).