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

C12H21F3 — CID 121273970

IUPAC2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1CC(C)(C)C
InChIInChI=1S/C12H21F3/c1-8(12(13,14)15)11(5)7-9(11)6-10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyAMEYOPIRIUQYBJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.65
Rot. Bonds2

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

2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273970) has the molecular formula C12H21F3 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273970
Molecular FormulaC12H21F3
Molecular Weight222.29 g/mol
Exact Mass222.16
IUPAC Name2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C(F)(F)F)C1(C)CC1CC(C)(C)C
InChIInChI=1S/C12H21F3/c1-8(12(13,14)15)11(5)7-9(11)6-10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyAMEYOPIRIUQYBJ-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273970) is 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C(F)(F)F)C1(C)CC1CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is AMEYOPIRIUQYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3/c1-8(12(13,14)15)11(5)7-9(11)6-10(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 222.29 g/mol, XLogP of 4.65, 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-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).