1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane

C8H11F5 — CID 121274032

IUPAC1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)C(C)(C)C1(F)F
InChIInChI=1S/C8H11F5/c1-4-6(8(11,12)13)5(2,3)7(6,9)10/h4H2,1-3H3
InChIKeyFVKJSYKZIMDXIF-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.62
Rot. Bonds1

About 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane

1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane (PubChem CID 121274032) has the molecular formula C8H11F5 and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
PubChem CID121274032
Molecular FormulaC8H11F5
Molecular Weight202.17 g/mol
Exact Mass202.08
IUPAC Name1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)C(C)(C)C1(F)F
InChIInChI=1S/C8H11F5/c1-4-6(8(11,12)13)5(2,3)7(6,9)10/h4H2,1-3H3
InChIKeyFVKJSYKZIMDXIF-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane (CID 121274032) is 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane is CCC1(C(F)(F)F)C(C)(C)C1(F)F.
What is the InChIKey of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane?
The InChIKey is FVKJSYKZIMDXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5/c1-4-6(8(11,12)13)5(2,3)7(6,9)10/h4H2,1-3H3.
What are the key properties of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane?
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 202.17 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).