1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane

C12H12F14O3 — CID 23269427

IUPAC1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)C(F)(F)COCC(COCC(F)(F)C(F)F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H12F14O3/c13-6(11(22,23)24)12(25,26)29-5(1-27-3-9(18,19)7(14)15)2-28-4-10(20,21)8(16)17/h5-8H,1-4H2
InChIKeyKPHNKKSAPRQYSQ-UHFFFAOYSA-N
MW470.20 g/mol
LogP4.70
Rot. Bonds13

About 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane

1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane (PubChem CID 23269427) has the molecular formula C12H12F14O3 and a molecular weight of 470.20 g/mol. Its IUPAC name is 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane
PubChem CID23269427
Molecular FormulaC12H12F14O3
Molecular Weight470.20 g/mol
Exact Mass470.06
IUPAC Name1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)C(F)(F)COCC(COCC(F)(F)C(F)F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C12H12F14O3/c13-6(11(22,23)24)12(25,26)29-5(1-27-3-9(18,19)7(14)15)2-28-4-10(20,21)8(16)17/h5-8H,1-4H2
InChIKeyKPHNKKSAPRQYSQ-UHFFFAOYSA-N
XLogP4.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane (CID 23269427) is 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane is FC(F)C(F)(F)COCC(COCC(F)(F)C(F)F)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is KPHNKKSAPRQYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F14O3/c13-6(11(22,23)24)12(25,26)29-5(1-27-3-9(18,19)7(14)15)2-28-4-10(20,21)8(16)17/h5-8H,1-4H2.
What are the key properties of 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane?
1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 470.20 g/mol, XLogP of 4.70, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2,2,3,3-tetrafluoropropoxy)propan-2-yloxy]-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 23269427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).