2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol

C6H4F8O — CID 20742585

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol
SMILESCC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F8O/c1-2(15)3(7,8)5(11,12)6(13,14)4(2,9)10/h15H,1H3
InChIKeyCNBCPVKUHRJAFT-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.29
Rot. Bonds

About 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol

2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol (PubChem CID 20742585) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol
PubChem CID20742585
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol
SMILESCC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H4F8O/c1-2(15)3(7,8)5(11,12)6(13,14)4(2,9)10/h15H,1H3
InChIKeyCNBCPVKUHRJAFT-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol (CID 20742585) is 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol is CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol?
The InChIKey is CNBCPVKUHRJAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c1-2(15)3(7,8)5(11,12)6(13,14)4(2,9)10/h15H,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol?
2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol has a molecular weight of 244.08 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentan-1-ol is sourced from PubChem (CID 20742585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).