1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane

C8H6F10 — CID 89234659

IUPAC1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
SMILESCC(F)(F)C1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10/c1-3(4(2,9)10)5(11,12)7(15,16)8(17,18)6(3,13)14/h1-2H3
InChIKeyMJJJWJHKGBGVDH-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.20
Rot. Bonds1

About 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane

1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane (PubChem CID 89234659) has the molecular formula C8H6F10 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
PubChem CID89234659
Molecular FormulaC8H6F10
Molecular Weight292.12 g/mol
Exact Mass292.03
IUPAC Name1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane
SMILESCC(F)(F)C1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10/c1-3(4(2,9)10)5(11,12)7(15,16)8(17,18)6(3,13)14/h1-2H3
InChIKeyMJJJWJHKGBGVDH-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane?
The IUPAC name of 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane (CID 89234659) is 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane?
The canonical SMILES for 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane is CC(F)(F)C1(C)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane?
The InChIKey is MJJJWJHKGBGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10/c1-3(4(2,9)10)5(11,12)7(15,16)8(17,18)6(3,13)14/h1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane?
1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane has a molecular weight of 292.12 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2,2,3,3,4,4,5,5-octafluoro-1-methylcyclopentane is sourced from PubChem (CID 89234659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).