2-(trifluoromethyl)spiro[2.3]hexan-5-one

C7H7F3O — CID 155821350

IUPAC2-(trifluoromethyl)spiro[2.3]hexan-5-one
SMILESO=C1CC2(C1)CC2C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-6(5)1-4(11)2-6/h5H,1-3H2
InChIKeyPDEUCZSAQGCTJG-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.92
Rot. Bonds

About 2-(trifluoromethyl)spiro[2.3]hexan-5-one

2-(trifluoromethyl)spiro[2.3]hexan-5-one (PubChem CID 155821350) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[2.3]hexan-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[2.3]hexan-5-one
PubChem CID155821350
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name2-(trifluoromethyl)spiro[2.3]hexan-5-one
SMILESO=C1CC2(C1)CC2C(F)(F)F
InChIInChI=1S/C7H7F3O/c8-7(9,10)5-3-6(5)1-4(11)2-6/h5H,1-3H2
InChIKeyPDEUCZSAQGCTJG-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)spiro[2.3]hexan-5-one 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-(trifluoromethyl)spiro[2.3]hexan-5-one?
The IUPAC name of 2-(trifluoromethyl)spiro[2.3]hexan-5-one (CID 155821350) is 2-(trifluoromethyl)spiro[2.3]hexan-5-one.
What is the SMILES notation for 2-(trifluoromethyl)spiro[2.3]hexan-5-one?
The canonical SMILES for 2-(trifluoromethyl)spiro[2.3]hexan-5-one is O=C1CC2(C1)CC2C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)spiro[2.3]hexan-5-one?
The InChIKey is PDEUCZSAQGCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)5-3-6(5)1-4(11)2-6/h5H,1-3H2.
What are the key properties of 2-(trifluoromethyl)spiro[2.3]hexan-5-one?
2-(trifluoromethyl)spiro[2.3]hexan-5-one has a molecular weight of 164.13 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[2.3]hexan-5-one is sourced from PubChem (CID 155821350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).