1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane

C7H3F11O — CID 156806364

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane
SMILESCOC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c1-19-2(7(16,17)18)3(8,9)5(12,13)6(14,15)4(2,10)11/h1H3
InChIKeyLZRNNLMUVWWQIX-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.49
Rot. Bonds1

About 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane

1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane (PubChem CID 156806364) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane
PubChem CID156806364
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane
SMILESCOC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11O/c1-19-2(7(16,17)18)3(8,9)5(12,13)6(14,15)4(2,10)11/h1H3
InChIKeyLZRNNLMUVWWQIX-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane (CID 156806364) is 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane is COC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane?
The InChIKey is LZRNNLMUVWWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c1-19-2(7(16,17)18)3(8,9)5(12,13)6(14,15)4(2,10)11/h1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane?
1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane has a molecular weight of 312.08 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-methoxy-5-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 156806364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).