2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane

C8H6F12O — CID 87137039

IUPAC2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(COCC(F)(C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-3(10)5(13,7(15,16)17)1-21-2-6(14,4(11)12)8(18,19)20/h3-4H,1-2H2
InChIKeyBRVUYFPEIGITEY-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.07
Rot. Bonds6

About 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane

2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane (PubChem CID 87137039) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane
PubChem CID87137039
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)C(F)(COCC(F)(C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-3(10)5(13,7(15,16)17)1-21-2-6(14,4(11)12)8(18,19)20/h3-4H,1-2H2
InChIKeyBRVUYFPEIGITEY-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane with MolForge

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Related Compounds

2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
CID 54187869
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
1-[(2S)-1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-3,5-bis(trifluoromethyl)piperidine
CID 137474498
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
1,1,2,2-tetrafluoro-4-(3,3,4,4-tetrafluorobutoxy)butane
CID 87136906
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane?
The IUPAC name of 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane (CID 87137039) is 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane.
What is the SMILES notation for 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane?
The canonical SMILES for 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane is FC(F)C(F)(COCC(F)(C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane?
The InChIKey is BRVUYFPEIGITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c9-3(10)5(13,7(15,16)17)1-21-2-6(14,4(11)12)8(18,19)20/h3-4H,1-2H2.
What are the key properties of 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane?
2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane has a molecular weight of 346.11 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane is sourced from PubChem (CID 87137039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).