2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane

C8H7F9O2 — CID 170873926

IUPAC2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(CC1OCCO1)C(F)(F)F
InChIInChI=1S/C8H7F9O2/c9-5(7(12,13)14,3-4-18-1-2-19-4)6(10,11)8(15,16)17/h4H,1-3H2
InChIKeySWCXUQAZNHNRHU-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.22
Rot. Bonds3

About 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane

2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane (PubChem CID 170873926) has the molecular formula C8H7F9O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane
PubChem CID170873926
Molecular FormulaC8H7F9O2
Molecular Weight306.12 g/mol
Exact Mass306.03
IUPAC Name2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C(F)(CC1OCCO1)C(F)(F)F
InChIInChI=1S/C8H7F9O2/c9-5(7(12,13)14,3-4-18-1-2-19-4)6(10,11)8(15,16)17/h4H,1-3H2
InChIKeySWCXUQAZNHNRHU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
(3R)-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
CID 97291082
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995
2-(bromomethyl)-1,3-dioxolane;phosphane
CID 146464767
2-(1,3-dioxolan-2-ylmethyl)-2-phenylpropane-1,3-diol
CID 166174488
1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone
CID 45080734
2-(1,3-dioxolan-2-yl)-N-iodoethanamine
CID 143150513
2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium
CID 173019461

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane?
The IUPAC name of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane (CID 170873926) is 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane?
The canonical SMILES for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane is FC(F)(F)C(F)(F)C(F)(CC1OCCO1)C(F)(F)F.
What is the InChIKey of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane?
The InChIKey is SWCXUQAZNHNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O2/c9-5(7(12,13)14,3-4-18-1-2-19-4)6(10,11)8(15,16)17/h4H,1-3H2.
What are the key properties of 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane?
2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane has a molecular weight of 306.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane is sourced from PubChem (CID 170873926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).