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

C12H18F6O — CID 118217395

IUPAC[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane
SMILESCC(C)(C)C(OCC1CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-7-8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeySAVFPCWQOXHGJJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.71
Rot. Bonds3

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

[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane (PubChem CID 118217395) 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]oxymethylcyclobutane.

Molecular Properties

Compound Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane
PubChem CID118217395
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane
SMILESCC(C)(C)C(OCC1CCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-7-8-5-4-6-8/h8H,4-7H2,1-3H3
InChIKeySAVFPCWQOXHGJJ-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoromethoxymethylcyclobutane
CID 142528063
4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexan-1-ol
CID 134374226
1,1-difluoro-4-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]cyclohexane
CID 134374502
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169254942
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794064
2-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxyacetamide
CID 118217382
(1-bromo-3-chloro-2-methylpropan-2-yl)oxymethylcycloheptane
CID 165476800
1-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]-3-methylcyclohexane
CID 165489389
2-(cyclopropylmethoxy)butan-2-ol
CID 54194500
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane?
The IUPAC name of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane (CID 118217395) is [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane.
What is the SMILES notation for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane?
The canonical SMILES for [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane is CC(C)(C)C(OCC1CCC1)(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]oxymethylcyclobutane?
The InChIKey is SAVFPCWQOXHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O/c1-9(2,3)10(11(13,14)15,12(16,17)18)19-7-8-5-4-6-8/h8H,4-7H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane?
[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclobutane has a molecular weight of 292.26 g/mol, XLogP of 4.71, 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]oxymethylcyclobutane is sourced from PubChem (CID 118217395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).