1-tert-butyl-1-(trifluoromethyl)cyclopropane

C8H13F3 — CID 58958615

IUPAC1-tert-butyl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)(C)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3/c1-6(2,3)7(4-5-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyDKCGBNVMVDKICB-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.38
Rot. Bonds

About 1-tert-butyl-1-(trifluoromethyl)cyclopropane

1-tert-butyl-1-(trifluoromethyl)cyclopropane (PubChem CID 58958615) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-tert-butyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-tert-butyl-1-(trifluoromethyl)cyclopropane
PubChem CID58958615
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1-tert-butyl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)(C)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3/c1-6(2,3)7(4-5-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyDKCGBNVMVDKICB-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-tert-butyl-1-(trifluoromethyl)cyclopropane (CID 58958615) is 1-tert-butyl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-tert-butyl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-tert-butyl-1-(trifluoromethyl)cyclopropane is CC(C)(C)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-1-(trifluoromethyl)cyclopropane?
The InChIKey is DKCGBNVMVDKICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-6(2,3)7(4-5-7)8(9,10)11/h4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-1-(trifluoromethyl)cyclopropane?
1-tert-butyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 166.19 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 58958615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).