2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane

C11H8F14O2 — CID 89321929

IUPAC2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C11H8F14O2/c1-26-5(7(13,10(20,21)22)11(23,24)25)3-2-4(27-5)6(12,8(14,15)16)9(17,18)19/h4H,2-3H2,1H3
InChIKeyJWZOKCCTVPFGPN-UHFFFAOYSA-N
MW438.16 g/mol
LogP5.17
Rot. Bonds3

About 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane

2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane (PubChem CID 89321929) has the molecular formula C11H8F14O2 and a molecular weight of 438.16 g/mol. Its IUPAC name is 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane.

Molecular Properties

Compound Name2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
PubChem CID89321929
Molecular FormulaC11H8F14O2
Molecular Weight438.16 g/mol
Exact Mass438.03
IUPAC Name2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C11H8F14O2/c1-26-5(7(13,10(20,21)22)11(23,24)25)3-2-4(27-5)6(12,8(14,15)16)9(17,18)19/h4H,2-3H2,1H3
InChIKeyJWZOKCCTVPFGPN-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.16
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,4,4-Pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methoxyoxolane
CID 91981807
2-Ethoxy-3,3,4,4,5-pentafluoro-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]tetrahydrofuran
CID 44224734
4-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-2,2-dimethyl-1,3-dioxolane
CID 11971317
2-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
CID 58212203
2-Ethoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010318
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
CID 59010326
5-Ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010327
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,5-dimethyloxolane
CID 59010348
2,3,3,4,4-Pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-5-[3-[3,3,4,4,5-pentafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]oxolane
CID 59010354
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-5-methyl-2-[2,2,3,3-tetrafluoro-4-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxybutoxy]oxolane
CID 59010355
2-Butoxy-5-fluoro-2-methyl-5-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010356
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-4,5-dimethyl-2-propoxyoxolane
CID 59010358

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The IUPAC name of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane (CID 89321929) is 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane.
What is the SMILES notation for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The canonical SMILES for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane is COC1(C(F)(C(F)(F)F)C(F)(F)F)CCC(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
The InChIKey is JWZOKCCTVPFGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F14O2/c1-26-5(7(13,10(20,21)22)11(23,24)25)3-2-4(27-5)6(12,8(14,15)16)9(17,18)19/h4H,2-3H2,1H3.
What are the key properties of 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane?
2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane has a molecular weight of 438.16 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyoxolane is sourced from PubChem (CID 89321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).