2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane

C8H10F6O — CID 13451021

IUPAC2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane
SMILESCC1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C8H10F6O/c1-4-2-3-5(15-4)7(10,11)6(9)8(12,13)14/h4-6H,2-3H2,1H3
InChIKeyKBXSXGSKSMJKOF-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.09
Rot. Bonds2

About 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane

2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane (PubChem CID 13451021) has the molecular formula C8H10F6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane
PubChem CID13451021
Molecular FormulaC8H10F6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane
SMILESCC1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C8H10F6O/c1-4-2-3-5(15-4)7(10,11)6(9)8(12,13)14/h4-6H,2-3H2,1H3
InChIKeyKBXSXGSKSMJKOF-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl perfluorooctyl ether
CID 87277037
Tetrahydro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan
CID 134921
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
Fluorobutyltetrahydrofuran
CID 53831377
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624
2,5-Bis(1,1,2,3,3,3-hexafluoropropyl)tetrahydrofuran
CID 15130345
2-(3,3,3-Trifluoropropyl)oxolane
CID 15582133
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606
4-Fluoro-2-pentyloxolane
CID 11378659
4-Fluoro-2-hexyloxolane
CID 22358453

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane (CID 13451021) is 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane is CC1CCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane?
The InChIKey is KBXSXGSKSMJKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-4-2-3-5(15-4)7(10,11)6(9)8(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane?
2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane has a molecular weight of 236.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropyl)-5-methyloxolane is sourced from PubChem (CID 13451021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).