1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane

C8H6F12O3 — CID 18413317

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane
SMILESFC(F)(F)C(OCOCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O3/c9-5(10,11)3(6(12,13)14)22-1-21-2-23-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2
InChIKeyFIWUUJIBWKPLLB-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.94
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane (PubChem CID 18413317) has the molecular formula C8H6F12O3 and a molecular weight of 378.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane
PubChem CID18413317
Molecular FormulaC8H6F12O3
Molecular Weight378.11 g/mol
Exact Mass378.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane
SMILESFC(F)(F)C(OCOCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O3/c9-5(10,11)3(6(12,13)14)22-1-21-2-23-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2
InChIKeyFIWUUJIBWKPLLB-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy(trimethyl)silane
CID 71695730
1-bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide
CID 102722351
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
CID 102685236
1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol
CID 102723518
[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium
CID 6397662
2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol
CID 102723499
2-[2-difluorophosphoryloxy-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]-1,1,1,3,3,3-hexafluoropropane
CID 166519573
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanimidamide
CID 102722346
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
2-ethyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)but-2-enoic acid
CID 102721459

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane (CID 18413317) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane is FC(F)(F)C(OCOCOC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane?
The InChIKey is FIWUUJIBWKPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O3/c9-5(10,11)3(6(12,13)14)22-1-21-2-23-4(7(15,16)17)8(18,19)20/h3-4H,1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane has a molecular weight of 378.11 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane is sourced from PubChem (CID 18413317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).