2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

C12H18F6 — CID 121274078

IUPAC2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C(F)(F)F)CC1CC(C)(C)C
InChIInChI=1S/C12H18F6/c1-7(11(13,14)15)10(12(16,17)18)6-8(10)5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyUSDIXNOHNRHVHY-UHFFFAOYSA-N
MW276.26 g/mol
LogP5.19
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274078) has the molecular formula C12H18F6 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274078
Molecular FormulaC12H18F6
Molecular Weight276.26 g/mol
Exact Mass276.13
IUPAC Name2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C(F)(F)F)CC1CC(C)(C)C
InChIInChI=1S/C12H18F6/c1-7(11(13,14)15)10(12(16,17)18)6-8(10)5-9(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyUSDIXNOHNRHVHY-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.26
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273970
2-methyl-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274072
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
CID 58247817
1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274151
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938
2-(2,2-dimethylpropyl)spiro[2.4]heptane
CID 140612167
(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine
CID 146373949
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490
N-[[2-methyl-2-(trifluoromethyl)cyclopropyl]methyl]propan-2-amine
CID 106523445
1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 121274010
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
1-(2,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
CID 91584385

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274078) is 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C(F)(F)F)CC1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is USDIXNOHNRHVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6/c1-7(11(13,14)15)10(12(16,17)18)6-8(10)5-9(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 276.26 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(trifluoromethyl)-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).