3-butyl-1,1-difluoro-2,2-dimethylcyclopropane

C9H16F2 — CID 132918858

IUPAC3-butyl-1,1-difluoro-2,2-dimethylcyclopropane
SMILESCCCCC1C(C)(C)C1(F)F
InChIInChI=1S/C9H16F2/c1-4-5-6-7-8(2,3)9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyPMNVJVGEZNAKRK-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds3

About 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane

3-butyl-1,1-difluoro-2,2-dimethylcyclopropane (PubChem CID 132918858) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane.

Molecular Properties

Compound Name3-butyl-1,1-difluoro-2,2-dimethylcyclopropane
PubChem CID132918858
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name3-butyl-1,1-difluoro-2,2-dimethylcyclopropane
SMILESCCCCC1C(C)(C)C1(F)F
InChIInChI=1S/C9H16F2/c1-4-5-6-7-8(2,3)9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyPMNVJVGEZNAKRK-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane?
The IUPAC name of 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane (CID 132918858) is 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane.
What is the SMILES notation for 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane?
The canonical SMILES for 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane is CCCCC1C(C)(C)C1(F)F.
What is the InChIKey of 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane?
The InChIKey is PMNVJVGEZNAKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-4-5-6-7-8(2,3)9(7,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane?
3-butyl-1,1-difluoro-2,2-dimethylcyclopropane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,1-difluoro-2,2-dimethylcyclopropane is sourced from PubChem (CID 132918858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).