1,1,1,2,2-pentafluoro-3,3-dimethylbutane

C6H9F5 — CID 23262889

IUPAC1,1,1,2,2-pentafluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5/c1-4(2,3)5(7,8)6(9,10)11/h1-3H3
InChIKeyOSFWBHRTAVJAME-UHFFFAOYSA-N
MW176.13 g/mol
LogP3.23
Rot. Bonds

About 1,1,1,2,2-pentafluoro-3,3-dimethylbutane

1,1,1,2,2-pentafluoro-3,3-dimethylbutane (PubChem CID 23262889) has the molecular formula C6H9F5 and a molecular weight of 176.13 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3,3-dimethylbutane
PubChem CID23262889
Molecular FormulaC6H9F5
Molecular Weight176.13 g/mol
Exact Mass176.06
IUPAC Name1,1,1,2,2-pentafluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5/c1-4(2,3)5(7,8)6(9,10)11/h1-3H3
InChIKeyOSFWBHRTAVJAME-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,2-pentafluoro-3,3-dimethylbutane 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 1,1,1,2,2-pentafluoro-3,3-dimethylbutane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3,3-dimethylbutane (CID 23262889) is 1,1,1,2,2-pentafluoro-3,3-dimethylbutane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3,3-dimethylbutane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3,3-dimethylbutane is CC(C)(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3,3-dimethylbutane?
The InChIKey is OSFWBHRTAVJAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5/c1-4(2,3)5(7,8)6(9,10)11/h1-3H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3,3-dimethylbutane?
1,1,1,2,2-pentafluoro-3,3-dimethylbutane has a molecular weight of 176.13 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3,3-dimethylbutane is sourced from PubChem (CID 23262889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).