2-tert-butyl-3-ethyl-1,1-difluorocyclopropane

C9H16F2 — CID 70673027

IUPAC2-tert-butyl-3-ethyl-1,1-difluorocyclopropane
SMILESCCC1C(C(C)(C)C)C1(F)F
InChIInChI=1S/C9H16F2/c1-5-6-7(8(2,3)4)9(6,10)11/h6-7H,5H2,1-4H3
InChIKeyQKLKXORCFRLBDZ-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.32
Rot. Bonds1

About 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane

2-tert-butyl-3-ethyl-1,1-difluorocyclopropane (PubChem CID 70673027) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-1,1-difluorocyclopropane
PubChem CID70673027
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name2-tert-butyl-3-ethyl-1,1-difluorocyclopropane
SMILESCCC1C(C(C)(C)C)C1(F)F
InChIInChI=1S/C9H16F2/c1-5-6-7(8(2,3)4)9(6,10)11/h6-7H,5H2,1-4H3
InChIKeyQKLKXORCFRLBDZ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane?
The IUPAC name of 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane (CID 70673027) is 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane.
What is the SMILES notation for 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane?
The canonical SMILES for 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane is CCC1C(C(C)(C)C)C1(F)F.
What is the InChIKey of 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane?
The InChIKey is QKLKXORCFRLBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-5-6-7(8(2,3)4)9(6,10)11/h6-7H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane?
2-tert-butyl-3-ethyl-1,1-difluorocyclopropane has a molecular weight of 162.22 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-1,1-difluorocyclopropane is sourced from PubChem (CID 70673027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).