1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane

C14H6F22O3 — CID 155670528

IUPAC1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
SMILESFC(F)(F)C(OC1CC(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F22O3/c15-6(16)1-2(37-3(8(17,18)19)9(20,21)22)7(14(6,35)36,38-4(10(23,24)25)11(26,27)28)39-5(12(29,30)31)13(32,33)34/h2-5H,1H2
InChIKeySQXQYCFOYZATFY-UHFFFAOYSA-N
MW640.15 g/mol
LogP7.26
Rot. Bonds6

About 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane

1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane (PubChem CID 155670528) has the molecular formula C14H6F22O3 and a molecular weight of 640.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
PubChem CID155670528
Molecular FormulaC14H6F22O3
Molecular Weight640.15 g/mol
Exact Mass640.00
IUPAC Name1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
SMILESFC(F)(F)C(OC1CC(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F22O3/c15-6(16)1-2(37-3(8(17,18)19)9(20,21)22)7(14(6,35)36,38-4(10(23,24)25)11(26,27)28)39-5(12(29,30)31)13(32,33)34/h2-5H,1H2
InChIKeySQXQYCFOYZATFY-UHFFFAOYSA-N
XLogP7.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.15
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane with MolForge

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Related Compounds

cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
CID 155670593
1,1,2,2,3,3-hexafluoro-4-propan-2-yloxycyclopentane
CID 19911060
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
CID 102723534
1,1,2,2,3,3-hexafluoro-4-(2,2,2-trifluoroethoxy)cyclopentane
CID 155670542
3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexane
CID 167433154
3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 155670513
1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
CID 121234851
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) adamantane-1,3-dicarboxylate
CID 146607098

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The IUPAC name of 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane (CID 155670528) is 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane is FC(F)(F)C(OC1CC(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The InChIKey is SQXQYCFOYZATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F22O3/c15-6(16)1-2(37-3(8(17,18)19)9(20,21)22)7(14(6,35)36,38-4(10(23,24)25)11(26,27)28)39-5(12(29,30)31)13(32,33)34/h2-5H,1H2.
What are the key properties of 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane has a molecular weight of 640.15 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane is sourced from PubChem (CID 155670528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).