2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane

C7H7F7O2 — CID 11139725

IUPAC2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC1OCCO1
InChIInChI=1S/C7H7F7O2/c8-5(9,3-4-15-1-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeyRBXFGBRZNHWPDH-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.58
Rot. Bonds3

About 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane

2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane (PubChem CID 11139725) has the molecular formula C7H7F7O2 and a molecular weight of 256.12 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane
PubChem CID11139725
Molecular FormulaC7H7F7O2
Molecular Weight256.12 g/mol
Exact Mass256.03
IUPAC Name2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC1OCCO1
InChIInChI=1S/C7H7F7O2/c8-5(9,3-4-15-1-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeyRBXFGBRZNHWPDH-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.58
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

2-(Heptafluoropropyl)-1,3-dioxolane
CID 86154818
2-(2,2,2-Trifluoroethyl)-1,3-dioxolane
CID 14066883
4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 14297350
2-(3,3,3-Trifluoropropyl)-1,3-dioxolane
CID 55256102
2-[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]-1,3-dioxolane
CID 2780753
4,4,5,5-Tetrafluoro-2-methyl-1,3-dioxolane
CID 12846007
4,4,5-Trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846009
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-dioxolane
CID 55255037
2-(2,2,3,3,4,4,5,5,5-Nonafluoropentyl)-1,3-dioxolane
CID 57793469
2-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,3-dioxolane
CID 57793496
2-(2,2,3,3,3-Pentafluoropropyl)-1,3-dioxolane
CID 57793531
2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3-dioxolane
CID 57793542

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane?
The IUPAC name of 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane (CID 11139725) is 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane is FC(F)(F)C(F)(F)C(F)(F)CC1OCCO1.
What is the InChIKey of 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane?
The InChIKey is RBXFGBRZNHWPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O2/c8-5(9,3-4-15-1-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2.
What are the key properties of 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane?
2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane has a molecular weight of 256.12 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,4-heptafluorobutyl)-1,3-dioxolane is sourced from PubChem (CID 11139725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).