2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane

C12H4F22O — CID 175373281

IUPAC2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
SMILESFC(F)(F)CC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C12H4F22O/c13-3(14,1-5(17,18)19)7(23,9(25,26)27)11(31,32)35-12(33,34)8(24,10(28,29)30)4(15,16)2-6(20,21)22/h1-2H2
InChIKeyDSZYWCRRABLMSK-UHFFFAOYSA-N
MW582.12 g/mol
LogP7.91
Rot. Bonds8

About 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane

2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane (PubChem CID 175373281) has the molecular formula C12H4F22O and a molecular weight of 582.12 g/mol. Its IUPAC name is 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane.

Molecular Properties

Compound Name2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
PubChem CID175373281
Molecular FormulaC12H4F22O
Molecular Weight582.12 g/mol
Exact Mass581.99
IUPAC Name2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
SMILESFC(F)(F)CC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C12H4F22O/c13-3(14,1-5(17,18)19)7(23,9(25,26)27)11(31,32)35-12(33,34)8(24,10(28,29)30)4(15,16)2-6(20,21)22/h1-2H2
InChIKeyDSZYWCRRABLMSK-UHFFFAOYSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.12
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane with MolForge

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Related Compounds

2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 89135339
tris(1,1,2,2,4,4,4-heptafluorobutoxy)silane
CID 154326883
3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
CID 139735073
CID 158264253
CID 158264253
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
bis(1,1,2,2,4,4,4-heptafluorobutoxy)phosphorylmethanol
CID 175360213
3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
CID 131727974
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)-4-(trifluoromethyl)pentane
CID 15124837
2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
CID 151942981
1,1,2,2,4,4-hexafluoro-1-(1,1,2,2,4,4-hexafluorobutoxy)butane
CID 87322712

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane?
The IUPAC name of 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane (CID 175373281) is 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane.
What is the SMILES notation for 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane?
The canonical SMILES for 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane is FC(F)(F)CC(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane?
The InChIKey is DSZYWCRRABLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F22O/c13-3(14,1-5(17,18)19)7(23,9(25,26)27)11(31,32)35-12(33,34)8(24,10(28,29)30)4(15,16)2-6(20,21)22/h1-2H2.
What are the key properties of 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane?
2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane has a molecular weight of 582.12 g/mol, XLogP of 7.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane is sourced from PubChem (CID 175373281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).