1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane

C9H2F18O — CID 88558617

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H2F18O/c10-1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)28-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyMIIFKNJRQYUCNG-UHFFFAOYSA-N
MW468.08 g/mol
LogP5.90
Rot. Bonds4

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane (PubChem CID 88558617) has the molecular formula C9H2F18O and a molecular weight of 468.08 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
PubChem CID88558617
Molecular FormulaC9H2F18O
Molecular Weight468.08 g/mol
Exact Mass467.98
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
SMILESFC(C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H2F18O/c10-1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)28-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyMIIFKNJRQYUCNG-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.08
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane
CID 87586527
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
CID 54544362
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 90262191
1,1,1,3,3,3-hexafluoro-2-(1,1,3,3,3-pentafluoropropoxy)propane
CID 11522280
3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 163434337
1,1,1,3,3-pentafluoro-3-methoxy-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-[1,1,3,3,3-pentafluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propane
CID 140886262
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium
CID 159746826
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
1-deuterio-1,1,2,2,2-pentafluoroethane
CID 59129850
tris(1,1,1,2,3,3-hexafluoropropan-2-yl) borate
CID 53443426

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane (CID 88558617) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane is FC(C(F)(OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane?
The InChIKey is MIIFKNJRQYUCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F18O/c10-1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)28-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane has a molecular weight of 468.08 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 88558617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).