(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane

C14HF29O4 — CID 99717314

IUPAC(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane
SMILESF[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H/t1-,4-,5+,6+/m1/s1
InChIKeyNOCLWIPRQIWFMR-XXSLJMRWSA-N
MW784.10 g/mol
LogP9.16
Rot. Bonds12

About (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane

(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane (PubChem CID 99717314) has the molecular formula C14HF29O4 and a molecular weight of 784.10 g/mol. Its IUPAC name is (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane.

Molecular Properties

Compound Name(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane
PubChem CID99717314
Molecular FormulaC14HF29O4
Molecular Weight784.10 g/mol
Exact Mass783.94
IUPAC Name(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane
SMILESF[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H/t1-,4-,5+,6+/m1/s1
InChIKeyNOCLWIPRQIWFMR-XXSLJMRWSA-N
XLogP9.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.10
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane with MolForge

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Related Compounds

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CID 18671047
3,3,4-trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butane-1,2-diol
CID 15472349
1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropylperoxy)propan-2-yl]oxypropan-2-yl]oxy-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 58890193
2-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]ethyl]oxolane
CID 102446330
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propan-2-yl]oxypropane
CID 101149053
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propane
CID 14365945
1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 23563840
1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 14150202
diethyl 2,5-bis[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethoxy]benzene-1,4-dicarboxylate
CID 89361975
3,3,4,5,5,5-hexafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]pent-1-ene
CID 45075703
1,1,1,2,4,5,5,5-octafluoro-2,4-bis[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]pentan-3-one
CID 22750746
(3R,4R,5S)-3,4,5,6-tetrahydroxy-1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethoxy]hexan-2-one
CID 90907812

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane?
The IUPAC name of (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane (CID 99717314) is (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane.
What is the SMILES notation for (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane?
The canonical SMILES for (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane is F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane?
The InChIKey is NOCLWIPRQIWFMR-XXSLJMRWSA-N. The full InChI is InChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H/t1-,4-,5+,6+/m1/s1.
What are the key properties of (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane?
(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane has a molecular weight of 784.10 g/mol, XLogP of 9.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane is sourced from PubChem (CID 99717314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).