2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane

C6H2F12O2 — CID 87586527

IUPAC2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane
SMILESFC(F)OC(F)(C(OC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2/c7-2(8)20-3(9,5(13,14)15)1(4(10,11)12)19-6(16,17)18/h1-2H
InChIKeyPTWPPRBFNMMWEO-UHFFFAOYSA-N
MW334.06 g/mol
LogP3.92
Rot. Bonds4

About 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane

2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane (PubChem CID 87586527) has the molecular formula C6H2F12O2 and a molecular weight of 334.06 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane
PubChem CID87586527
Molecular FormulaC6H2F12O2
Molecular Weight334.06 g/mol
Exact Mass333.99
IUPAC Name2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane
SMILESFC(F)OC(F)(C(OC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12O2/c7-2(8)20-3(9,5(13,14)15)1(4(10,11)12)19-6(16,17)18/h1-2H
InChIKeyPTWPPRBFNMMWEO-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane with MolForge

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Related Compounds

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
1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
CID 88618098
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
sodium tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)boranuide
CID 132774229
[2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropyl] hypofluorite
CID 88556084
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
trichloro(difluoromethoxy)methane
CID 10986989
1-deuterio-1,1,2,2,2-pentafluoroethane
CID 59129850
1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane
CID 151203213

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane?
The IUPAC name of 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane (CID 87586527) is 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane.
What is the SMILES notation for 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane?
The canonical SMILES for 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane is FC(F)OC(F)(C(OC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane?
The InChIKey is PTWPPRBFNMMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O2/c7-2(8)20-3(9,5(13,14)15)1(4(10,11)12)19-6(16,17)18/h1-2H.
What are the key properties of 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane?
2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane has a molecular weight of 334.06 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,1,1,2,4,4,4-heptafluoro-3-(trifluoromethoxy)butane is sourced from PubChem (CID 87586527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).