1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane

C7H5F9O — CID 155670542

IUPAC1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane
SMILESFC(F)(F)COC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H5F9O/c8-4(9)1-3(17-2-5(10,11)12)6(13,14)7(4,15)16/h3H,1-2H2
InChIKeyDKUFDWLVWORRJH-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.24
Rot. Bonds2

About 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane

1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane (PubChem CID 155670542) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane
PubChem CID155670542
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane
SMILESFC(F)(F)COC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H5F9O/c8-4(9)1-3(17-2-5(10,11)12)6(13,14)7(4,15)16/h3H,1-2H2
InChIKeyDKUFDWLVWORRJH-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
CID 121234851
1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
CID 19911060
(3S)-3-ethoxy-1,1,2,2-tetrafluorocyclobutane
CID 174329394
2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
CID 66366275
3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357564
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296
1-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-3-one
CID 66366798
2,2,2-trifluoroethoxycycloheptane
CID 148866146
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
CID 155670528
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
3,3-dimethyl-2-(2,2,2-trifluoroethoxy)oxetane
CID 14643515

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane (CID 155670542) is 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane is FC(F)(F)COC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane?
The InChIKey is DKUFDWLVWORRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-4(9)1-3(17-2-5(10,11)12)6(13,14)7(4,15)16/h3H,1-2H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane?
1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane has a molecular weight of 276.10 g/mol, XLogP of 3.24, 2 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-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane is sourced from PubChem (CID 155670542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).