4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one

C10H11F7O3 — CID 21263529

IUPAC4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
SMILESCCC(CC1COC(=O)O1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O3/c1-2-5(3-6-4-19-7(18)20-6)8(11,12)9(13,14)10(15,16)17/h5-6H,2-4H2,1H3
InChIKeyCKAHJEPXECOPQC-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.77
Rot. Bonds5

About 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one

4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one (PubChem CID 21263529) has the molecular formula C10H11F7O3 and a molecular weight of 312.18 g/mol. Its IUPAC name is 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
PubChem CID21263529
Molecular FormulaC10H11F7O3
Molecular Weight312.18 g/mol
Exact Mass312.06
IUPAC Name4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
SMILESCCC(CC1COC(=O)O1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O3/c1-2-5(3-6-4-19-7(18)20-6)8(11,12)9(13,14)10(15,16)17/h5-6H,2-4H2,1H3
InChIKeyCKAHJEPXECOPQC-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-2,2-dimethyl-1,3-dioxolane
CID 11971317
4-[Cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one
CID 101432696
(4S)-4-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958788
(4S)-4-[(1R,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958789
(4S)-4-[(1S,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958791
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958795
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
4-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 118189689
4-(2,2,3,3,4,4,5,5-Octafluorohexyl)-1,3-dioxolan-2-one
CID 122607494
4-Methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolan-2-one
CID 130342560
4-[4,4,4-Trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 134268687
4-Butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 143715525

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one (CID 21263529) is 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one is CCC(CC1COC(=O)O1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one?
The InChIKey is CKAHJEPXECOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O3/c1-2-5(3-6-4-19-7(18)20-6)8(11,12)9(13,14)10(15,16)17/h5-6H,2-4H2,1H3.
What are the key properties of 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one?
4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one has a molecular weight of 312.18 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 21263529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).