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

C14H5F23O3 — CID 155670593

IUPACcis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
SMILESF[C@H]1[C@@H](OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H5F23O3/c15-1-2(38-3(8(18,19)20)9(21,22)23)6(16,17)14(36,37)7(1,39-4(10(24,25)26)11(27,28)29)40-5(12(30,31)32)13(33,34)35/h1-5H/t1-,2+/m0/s1
InChIKeyWNSRFBXRWRPUHI-NHYDCYSISA-N
MW658.14 g/mol
LogP7.20
Rot. Bonds6

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

cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane (PubChem CID 155670593) has the molecular formula C14H5F23O3 and a molecular weight of 658.14 g/mol. Its IUPAC name is cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane.

Molecular Properties

Compound Namecis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
PubChem CID155670593
Molecular FormulaC14H5F23O3
Molecular Weight658.14 g/mol
Exact Mass657.99
IUPAC Namecis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
SMILESF[C@H]1[C@@H](OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H5F23O3/c15-1-2(38-3(8(18,19)20)9(21,22)23)6(16,17)14(36,37)7(1,39-4(10(24,25)26)11(27,28)29)40-5(12(30,31)32)13(33,34)35/h1-5H/t1-,2+/m0/s1
InChIKeyWNSRFBXRWRPUHI-NHYDCYSISA-N
XLogP7.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.14
LogP ≤ 57.20
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 cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1,1,2,2-tetrafluoro-3,3,4-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane
CID 155670528
cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(2,2,3,3-tetrafluoropropoxy)cyclopentane
CID 155670498
3,3,4,4,5-pentafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 155670513
1,1,1,3,3,3-hexafluoropropan-2-yl hypobromite
CID 172868430
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
CID 102723534
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742

Frequently Asked Questions

What is the IUPAC name of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The IUPAC name of 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) is cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane.
What is the SMILES notation for cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The canonical SMILES for cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane is F[C@H]1[C@@H](OC(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
The InChIKey is WNSRFBXRWRPUHI-NHYDCYSISA-N. The full InChI is InChI=1S/C14H5F23O3/c15-1-2(38-3(8(18,19)20)9(21,22)23)6(16,17)14(36,37)7(1,39-4(10(24,25)26)11(27,28)29)40-5(12(30,31)32)13(33,34)35/h1-5H/t1-,2+/m0/s1.
What are the key properties of cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane?
cis-(4S,5R)-1,1,2,2,4-pentafluoro-3,3,5-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane has a molecular weight of 658.14 g/mol, XLogP of 7.20, 6 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(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentane is sourced from PubChem (CID 155670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).