cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane

C14H11F17O3 — CID 155670498

IUPACcis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane
SMILESFC(F)C(F)(F)CO[C@@H]1[C@H](F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14H11F17O3/c15-4-5(32-1-9(22,23)6(16)17)12(28,29)14(30,31)13(4,33-2-10(24,25)7(18)19)34-3-11(26,27)8(20)21/h4-8H,1-3H2/t4-,5+/m0/s1
InChIKeyKSFDSBUFPNEASI-CRCLSJGQSA-N
MW550.21 g/mol
LogP5.42
Rot. Bonds12

About cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane

cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane (PubChem CID 155670498) has the molecular formula C14H11F17O3 and a molecular weight of 550.21 g/mol. Its IUPAC name is cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane.

Molecular Properties

Compound Namecis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane
PubChem CID155670498
Molecular FormulaC14H11F17O3
Molecular Weight550.21 g/mol
Exact Mass550.04
IUPAC Namecis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane
SMILESFC(F)C(F)(F)CO[C@@H]1[C@H](F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C14H11F17O3/c15-4-5(32-1-9(22,23)6(16)17)12(28,29)14(30,31)13(4,33-2-10(24,25)7(18)19)34-3-11(26,27)8(20)21/h4-8H,1-3H2/t4-,5+/m0/s1
InChIKeyKSFDSBUFPNEASI-CRCLSJGQSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.21
LogP ≤ 55.42
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'}

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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-tetrafluoro-3-hydroperoxypropane
CID 162542165
2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
CID 154601254
chloro-bis(2,2,3,3-tetrafluoropropoxy)phosphane
CID 13115958
methyl 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetate
CID 103272552
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 79836595
oxido-sulfanylidene-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 3769735
2-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]ethanol
CID 97109325
2,2,3,3-tetrafluoropropoxysulfanyl hypochlorite
CID 15788054
3-bromosulfonyloxy-1,1,2,2-tetrafluoropropane
CID 151869532
phosphanylimino(2,2,3,3-tetrafluoropropoxy)phosphane
CID 90113845
triphenyl-bis(2,2,3,3-tetrafluoropropoxy)-λ5-phosphane
CID 10459459

Frequently Asked Questions

What is the IUPAC name of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane?
The IUPAC name of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane (CID 155670498) is cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane.
What is the SMILES notation for cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane?
The canonical SMILES for cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane is FC(F)C(F)(F)CO[C@@H]1[C@H](F)C(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane?
The InChIKey is KSFDSBUFPNEASI-CRCLSJGQSA-N. The full InChI is InChI=1S/C14H11F17O3/c15-4-5(32-1-9(22,23)6(16)17)12(28,29)14(30,31)13(4,33-2-10(24,25)7(18)19)34-3-11(26,27)8(20)21/h4-8H,1-3H2/t4-,5+/m0/s1.
What are the key properties of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane?
cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane has a molecular weight of 550.21 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane is sourced from PubChem (CID 155670498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).