2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane

C9H17F — CID 58247817

IUPAC2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
SMILESCC(C)(C)CC1CC1(C)F
InChIInChI=1S/C9H17F/c1-8(2,3)5-7-6-9(7,4)10/h7H,5-6H2,1-4H3
InChIKeyLJYJHTLRTDOUPE-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.17
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane

2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane (PubChem CID 58247817) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
PubChem CID58247817
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane
SMILESCC(C)(C)CC1CC1(C)F
InChIInChI=1S/C9H17F/c1-8(2,3)5-7-6-9(7,4)10/h7H,5-6H2,1-4H3
InChIKeyLJYJHTLRTDOUPE-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane 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 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane (CID 58247817) is 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane is CC(C)(C)CC1CC1(C)F.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane?
The InChIKey is LJYJHTLRTDOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-8(2,3)5-7-6-9(7,4)10/h7H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane?
2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane has a molecular weight of 144.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-fluoro-1-methylcyclopropane is sourced from PubChem (CID 58247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).