2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane

C8H7F9O2 — CID 23534653

IUPAC2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C(F)(F)C1(F)COC(F)(C(F)(F)F)O1
InChIInChI=1S/C8H7F9O2/c1-2-4(9,10)6(12,13)5(11)3-18-8(17,19-5)7(14,15)16/h2-3H2,1H3
InChIKeyHTJJQKBXHPLBEM-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.57
Rot. Bonds3

About 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane

2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 23534653) has the molecular formula C8H7F9O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID23534653
Molecular FormulaC8H7F9O2
Molecular Weight306.12 g/mol
Exact Mass306.03
IUPAC Name2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESCCC(F)(F)C(F)(F)C1(F)COC(F)(C(F)(F)F)O1
InChIInChI=1S/C8H7F9O2/c1-2-4(9,10)6(12,13)5(11)3-18-8(17,19-5)7(14,15)16/h2-3H2,1H3
InChIKeyHTJJQKBXHPLBEM-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.57
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

4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-2,2-dimethyl-1,3-dioxolane
CID 11971316
8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
1,3-Dioxolane, 4-ethyl-5-octyl-2,2-bis(trifluoromethyl)-, trans-
CID 91694992
cis-4-Pentyl-5-propyl-2,2-bis(trifluoro methyl)-1,3-dioxolane
CID 101834213
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyloxy-methyloxirane
CID 129766537
1,3-Dioxolane, 4-ethyl-5-hexyl-2,2-bis(trifluoromethyl)-
CID 38001
4,5-Dipropyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549956
4-Hexyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549958
4-Methyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 549961
4-Ethyl-5-pentyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 550138

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 23534653) is 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane is CCC(F)(F)C(F)(F)C1(F)COC(F)(C(F)(F)F)O1.
What is the InChIKey of 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is HTJJQKBXHPLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O2/c1-2-4(9,10)6(12,13)5(11)3-18-8(17,19-5)7(14,15)16/h2-3H2,1H3.
What are the key properties of 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane?
2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 306.12 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23534653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).