4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane

C8H7F9O2 — CID 138682995

IUPAC4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1COCO1
InChIInChI=1S/C8H7F9O2/c9-5(10,1-4-2-18-3-19-4)6(11,12)7(13,14)8(15,16)17/h4H,1-3H2
InChIKeyZSEMAPGYUXEYMI-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.22
Rot. Bonds4

About 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane

4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane (PubChem CID 138682995) has the molecular formula C8H7F9O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
PubChem CID138682995
Molecular FormulaC8H7F9O2
Molecular Weight306.12 g/mol
Exact Mass306.03
IUPAC Name4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1COCO1
InChIInChI=1S/C8H7F9O2/c9-5(10,1-4-2-18-3-19-4)6(11,12)7(13,14)8(15,16)17/h4H,1-3H2
InChIKeyZSEMAPGYUXEYMI-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
CID 173040236
2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 11045884
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
(3R,4S)-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101190931
4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
CID 88661077
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylcyclobutane
CID 172565321
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononoxymethyl)oxirane
CID 141482094
(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
CID 40501241
6-ethyl-1,3,5-trioxepane
CID 139790395

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane (CID 138682995) is 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1COCO1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
The InChIKey is ZSEMAPGYUXEYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O2/c9-5(10,1-4-2-18-3-19-4)6(11,12)7(13,14)8(15,16)17/h4H,1-3H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane?
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane has a molecular weight of 306.12 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane is sourced from PubChem (CID 138682995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).