ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one

C7H8F6O — CID 164528784

IUPACethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one
SMILESCC.O=C1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H2F6O.C2H6/c6-3(7)1-2(12)4(8,9)5(3,10)11;1-2/h1H2;1-2H3
InChIKeyMADBUKYGEVSFCQ-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.89
Rot. Bonds

About ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one

ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one (PubChem CID 164528784) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one.

Molecular Properties

Compound Nameethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one
PubChem CID164528784
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Nameethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one
SMILESCC.O=C1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H2F6O.C2H6/c6-3(7)1-2(12)4(8,9)5(3,10)11;1-2/h1H2;1-2H3
InChIKeyMADBUKYGEVSFCQ-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.89
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

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CID 91524020
3,3,4,4-tetrafluorocyclopentan-1-one
CID 89251149
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
ethane;1,1,2,2,3,3-hexafluoro-4,5-dimethylidenecyclopentane
CID 143423898
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 12681002
4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
CID 142508450
3,3,4,4-tetrafluoropyrrolidin-2-one
CID 130608310
4,5,5,6,6-pentafluoro-1-(trifluoromethyl)bicyclo[2.2.1]heptan-2-one
CID 87092096
diphenylphosphane;1,2,3,3,4,4,5,5-octafluorocyclohexene
CID 174272811
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one?
The IUPAC name of ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one (CID 164528784) is ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one.
What is the SMILES notation for ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one?
The canonical SMILES for ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one is CC.O=C1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one?
The InChIKey is MADBUKYGEVSFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O.C2H6/c6-3(7)1-2(12)4(8,9)5(3,10)11;1-2/h1H2;1-2H3.
What are the key properties of ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one?
ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one has a molecular weight of 222.13 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one is sourced from PubChem (CID 164528784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).