2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol

C6H6F6O — CID 21020070

IUPAC2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol
SMILESCC1(O)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-3(13)4(7,8)2-5(9,10)6(3,11)12/h13H,2H2,1H3
InChIKeyMOAREWAURUYTFG-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.05
Rot. Bonds

About 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol

2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol (PubChem CID 21020070) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol
PubChem CID21020070
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol
SMILESCC1(O)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-3(13)4(7,8)2-5(9,10)6(3,11)12/h13H,2H2,1H3
InChIKeyMOAREWAURUYTFG-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol 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 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol?
The IUPAC name of 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol (CID 21020070) is 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol?
The canonical SMILES for 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol is CC1(O)C(F)(F)CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol?
The InChIKey is MOAREWAURUYTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(13)4(7,8)2-5(9,10)6(3,11)12/h13H,2H2,1H3.
What are the key properties of 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol?
2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol has a molecular weight of 208.10 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5-hexafluoro-1-methylcyclopentan-1-ol is sourced from PubChem (CID 21020070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).