2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane

C16H23F11O — CID 118228733

IUPAC2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane
SMILESCCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CCC)C(C)(F)C(F)(F)F
InChIInChI=1S/C16H23F11O/c1-6-8-10(3,17)13(19,15(23,24)25)16(26,27)28-11(4,9-7-2)12(5,18)14(20,21)22/h6-9H2,1-5H3
InChIKeyTZJFLKUPAJCCKP-UHFFFAOYSA-N
MW440.34 g/mol
LogP7.24
Rot. Bonds9

About 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane

2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane (PubChem CID 118228733) has the molecular formula C16H23F11O and a molecular weight of 440.34 g/mol. Its IUPAC name is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane.

Molecular Properties

Compound Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane
PubChem CID118228733
Molecular FormulaC16H23F11O
Molecular Weight440.34 g/mol
Exact Mass440.16
IUPAC Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane
SMILESCCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CCC)C(C)(F)C(F)(F)F
InChIInChI=1S/C16H23F11O/c1-6-8-10(3,17)13(19,15(23,24)25)16(26,27)28-11(4,9-7-2)12(5,18)14(20,21)22/h6-9H2,1-5H3
InChIKeyTZJFLKUPAJCCKP-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
2,2,4,4,7-Pentafluoro-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034415
3-[(2-Ethyl-1,1,2,3,3-pentafluoropentoxy)-difluoromethyl]-3,4,4-trifluorohexane
CID 88857735
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88866206
(2R)-2-[difluoro-(1,1,1,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907560
2-[Difluoro-(1,1,1,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907758
3,3,4-Triethyl-4-(2-ethyl-1,1-difluoro-2-methylbutoxy)-1,1,2,2-tetrafluoro-1-(3-methylpentan-3-yloxy)hexane
CID 89099653
2-[Difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 89135339
2-[Difluoro(3-methylpentan-3-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylhexane
CID 89135359
3-[3,3-Difluoro-2,4-dimethyl-4-[3,4,4,4-tetrafluoro-3-(fluoromethyl)-2-methylbutan-2-yl]oxypentan-2-yl]oxy-2-(difluoromethyl)-1,1,1,2-tetrafluoro-3-methylpentane
CID 89190319
1,1,1,2-Tetrafluoro-2,3-dimethyl-3-[1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]hexane
CID 89196289
1-(1,1-Difluoro-2-methylbutan-2-yl)oxy-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)hexane
CID 89196368

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
The IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane (CID 118228733) is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane.
What is the SMILES notation for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
The canonical SMILES for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane is CCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CCC)C(C)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
The InChIKey is TZJFLKUPAJCCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F11O/c1-6-8-10(3,17)13(19,15(23,24)25)16(26,27)28-11(4,9-7-2)12(5,18)14(20,21)22/h6-9H2,1-5H3.
What are the key properties of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane?
2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane has a molecular weight of 440.34 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylhexan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylhexane is sourced from PubChem (CID 118228733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).