1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane

C9H15F3 — CID 89220101

IUPAC1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane
SMILESCC1CC(C[C@H](C)C(F)(F)F)C1
InChIInChI=1S/C9H15F3/c1-6-3-8(4-6)5-7(2)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyOYEQOGLOVSSYAF-WTIBDHCWSA-N
MW180.21 g/mol
LogP3.62
Rot. Bonds2

About 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane

1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane (PubChem CID 89220101) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane.

Molecular Properties

Compound Name1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane
PubChem CID89220101
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane
SMILESCC1CC(C[C@H](C)C(F)(F)F)C1
InChIInChI=1S/C9H15F3/c1-6-3-8(4-6)5-7(2)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyOYEQOGLOVSSYAF-WTIBDHCWSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3-[(2S)-3,3,3-trifluoro-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-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane?
The IUPAC name of 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane (CID 89220101) is 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane.
What is the SMILES notation for 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane?
The canonical SMILES for 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane is CC1CC(C[C@H](C)C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane?
The InChIKey is OYEQOGLOVSSYAF-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H15F3/c1-6-3-8(4-6)5-7(2)9(10,11)12/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane?
1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane has a molecular weight of 180.21 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-3,3,3-trifluoro-2-methylpropyl]cyclobutane is sourced from PubChem (CID 89220101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).