2-tert-butyl-1,1-difluorocyclopropane

C7H12F2 — CID 59722605

IUPAC2-tert-butyl-1,1-difluorocyclopropane
SMILESCC(C)(C)C1CC1(F)F
InChIInChI=1S/C7H12F2/c1-6(2,3)5-4-7(5,8)9/h5H,4H2,1-3H3
InChIKeyWUJRYRKLQTZVNR-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.69
Rot. Bonds

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

2-tert-butyl-1,1-difluorocyclopropane (PubChem CID 59722605) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 2-tert-butyl-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-tert-butyl-1,1-difluorocyclopropane
PubChem CID59722605
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name2-tert-butyl-1,1-difluorocyclopropane
SMILESCC(C)(C)C1CC1(F)F
InChIInChI=1S/C7H12F2/c1-6(2,3)5-4-7(5,8)9/h5H,4H2,1-3H3
InChIKeyWUJRYRKLQTZVNR-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-difluorocyclopropane?
The IUPAC name of 2-tert-butyl-1,1-difluorocyclopropane (CID 59722605) is 2-tert-butyl-1,1-difluorocyclopropane.
What is the SMILES notation for 2-tert-butyl-1,1-difluorocyclopropane?
The canonical SMILES for 2-tert-butyl-1,1-difluorocyclopropane is CC(C)(C)C1CC1(F)F.
What is the InChIKey of 2-tert-butyl-1,1-difluorocyclopropane?
The InChIKey is WUJRYRKLQTZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-6(2,3)5-4-7(5,8)9/h5H,4H2,1-3H3.
What are the key properties of 2-tert-butyl-1,1-difluorocyclopropane?
2-tert-butyl-1,1-difluorocyclopropane has a molecular weight of 134.17 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-difluorocyclopropane is sourced from PubChem (CID 59722605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).