3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane

C9H17F — CID 121273954

IUPAC3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane
SMILESCC(C)C1(C)C(F)C1(C)C
InChIInChI=1S/C9H17F/c1-6(2)9(5)7(10)8(9,3)4/h6-7H,1-5H3
InChIKeyRKSUTMRBCDCOAJ-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.03
Rot. Bonds1

About 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane

3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane (PubChem CID 121273954) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane
PubChem CID121273954
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane
SMILESCC(C)C1(C)C(F)C1(C)C
InChIInChI=1S/C9H17F/c1-6(2)9(5)7(10)8(9,3)4/h6-7H,1-5H3
InChIKeyRKSUTMRBCDCOAJ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane 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-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane?
The IUPAC name of 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane (CID 121273954) is 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane?
The canonical SMILES for 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane is CC(C)C1(C)C(F)C1(C)C.
What is the InChIKey of 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane?
The InChIKey is RKSUTMRBCDCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-6(2)9(5)7(10)8(9,3)4/h6-7H,1-5H3.
What are the key properties of 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane?
3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane has a molecular weight of 144.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,1,2-trimethyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 121273954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).