6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane

C10H10F10O — CID 58488789

IUPAC6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C10H10F10O/c1-3-6(13)4-7(14,5(2,11)12)21-10(19,20)8(6,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyMJVYWLPJNZUVBW-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.71
Rot. Bonds2

About 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane

6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane (PubChem CID 58488789) has the molecular formula C10H10F10O and a molecular weight of 336.17 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane
PubChem CID58488789
Molecular FormulaC10H10F10O
Molecular Weight336.17 g/mol
Exact Mass336.06
IUPAC Name6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane
SMILESCCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C10H10F10O/c1-3-6(13)4-7(14,5(2,11)12)21-10(19,20)8(6,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyMJVYWLPJNZUVBW-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
(4S)-3,3-difluoro-2,4,6-trimethyl-2,6-bis(trifluoromethyl)oxane
CID 57682218
2,4,6-Trimethyl-2,4,6-tris(trifluoromethyl)oxane
CID 57682254
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149
6-(1,1-Difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane
CID 58249150
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152
3-(1,1-Difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
CID 58488788
6-(1,1-Difluoroethyl)-4-ethyl-2,2,3,3,4,6-hexafluorooxane
CID 58488790

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane?
The IUPAC name of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane (CID 58488789) is 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane.
What is the SMILES notation for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane?
The canonical SMILES for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane is CCC1(F)CC(F)(C(C)(F)F)OC(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane?
The InChIKey is MJVYWLPJNZUVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O/c1-3-6(13)4-7(14,5(2,11)12)21-10(19,20)8(6,15)9(16,17)18/h3-4H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane?
6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane has a molecular weight of 336.17 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-4-ethyl-2,2,3,4,6-pentafluoro-3-(trifluoromethyl)oxane is sourced from PubChem (CID 58488789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).