1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate

C11ClF22O5- — CID 163408249

IUPAC1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate
SMILES[O-]C(F)(OC(F)(OC(F)(OC(F)(OC(F)(F)C(F)(Cl)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11ClF22O5/c12-1(13,2(14,15)16)7(29,30)36-9(32,4(20,21)22)38-11(34,6(26,27)28)39-10(33,5(23,24)25)37-8(31,35)3(17,18)19/q-1
InChIKeyUCZAGBRPXHHMJE-UHFFFAOYSA-N
MW665.52 g/mol
LogP6.22
Rot. Bonds9

About 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate

1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate (PubChem CID 163408249) has the molecular formula C11ClF22O5- and a molecular weight of 665.52 g/mol. Its IUPAC name is 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate.

Molecular Properties

Compound Name1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate
PubChem CID163408249
Molecular FormulaC11ClF22O5-
Molecular Weight665.52 g/mol
Exact Mass664.91
IUPAC Name1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate
SMILES[O-]C(F)(OC(F)(OC(F)(OC(F)(OC(F)(F)C(F)(Cl)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11ClF22O5/c12-1(13,2(14,15)16)7(29,30)36-9(32,4(20,21)22)38-11(34,6(26,27)28)39-10(33,5(23,24)25)37-8(31,35)3(17,18)19/q-1
InChIKeyUCZAGBRPXHHMJE-UHFFFAOYSA-N
XLogP6.22
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate?
The IUPAC name of 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate (CID 163408249) is 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate.
What is the SMILES notation for 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate?
The canonical SMILES for 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate is [O-]C(F)(OC(F)(OC(F)(OC(F)(OC(F)(F)C(F)(Cl)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 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate?
The InChIKey is UCZAGBRPXHHMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11ClF22O5/c12-1(13,2(14,15)16)7(29,30)36-9(32,4(20,21)22)38-11(34,6(26,27)28)39-10(33,5(23,24)25)37-8(31,35)3(17,18)19/q-1.
What are the key properties of 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate?
1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate has a molecular weight of 665.52 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethoxy]-1,2,2,2-tetrafluoroethanolate is sourced from PubChem (CID 163408249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).