1,1-difluoro-3-(2-methylpropyl)cyclobutane

C8H14F2 — CID 20782614

IUPAC1,1-difluoro-3-(2-methylpropyl)cyclobutane
SMILESCC(C)CC1CC(F)(F)C1
InChIInChI=1S/C8H14F2/c1-6(2)3-7-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3
InChIKeyCDRTXMYDPISVPE-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.08
Rot. Bonds2

About 1,1-difluoro-3-(2-methylpropyl)cyclobutane

1,1-difluoro-3-(2-methylpropyl)cyclobutane (PubChem CID 20782614) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylpropyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylpropyl)cyclobutane
PubChem CID20782614
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,1-difluoro-3-(2-methylpropyl)cyclobutane
SMILESCC(C)CC1CC(F)(F)C1
InChIInChI=1S/C8H14F2/c1-6(2)3-7-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3
InChIKeyCDRTXMYDPISVPE-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-3-(2-methylpropyl)cyclobutane 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 1,1-difluoro-3-(2-methylpropyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(2-methylpropyl)cyclobutane (CID 20782614) is 1,1-difluoro-3-(2-methylpropyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(2-methylpropyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(2-methylpropyl)cyclobutane is CC(C)CC1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(2-methylpropyl)cyclobutane?
The InChIKey is CDRTXMYDPISVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6(2)3-7-4-8(9,10)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(2-methylpropyl)cyclobutane?
1,1-difluoro-3-(2-methylpropyl)cyclobutane has a molecular weight of 148.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylpropyl)cyclobutane is sourced from PubChem (CID 20782614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).