1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane

C9H6F14O2 — CID 15006626

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane
SMILESCOC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F14O2/c1-24-7(8(18,19)20,9(21,22)23)25-2-4(12,13)6(16,17)5(14,15)3(10)11/h3H,2H2,1H3
InChIKeyFEEBQLNLOQOPKE-UHFFFAOYSA-N
MW412.12 g/mol
LogP4.64
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane

1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane (PubChem CID 15006626) has the molecular formula C9H6F14O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane
PubChem CID15006626
Molecular FormulaC9H6F14O2
Molecular Weight412.12 g/mol
Exact Mass412.01
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane
SMILESCOC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F14O2/c1-24-7(8(18,19)20,9(21,22)23)25-2-4(12,13)6(16,17)5(14,15)3(10)11/h3H,2H2,1H3
InChIKeyFEEBQLNLOQOPKE-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.12
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane 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

1,1,1,3,3,3-Hexafluoro-2,2-bis(2,2,3,3,3-pentafluoropropoxy)propane
CID 10026653
1,1,1,3,3,3-Hexafluoro-2,2-dipropoxypropane
CID 15124859
2,2-Diethoxy-1,1,1,3,4,4,4-heptafluorobutane
CID 18931715
1-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxypentane
CID 19761947
1-(1,1,1,3,3,3-Hexafluoro-2-methoxypropan-2-yl)oxypentane
CID 19761968
5-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973
1-[Difluoro-[2-(trifluoromethoxy)propan-2-yloxy]methoxy]-1,2,2,3,3-pentafluorobutane
CID 20586806
2-Ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
CID 20725475
4-Ethyl-4,5,5-trifluoro-2,2-dimethyl-1,3-dioxane
CID 22897557
1,1,1,3,3,3-Hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane
CID 23405171
(2S)-2-(3,3-difluoropropyl)-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]oxirane
CID 53806873
Fluoromethane;1-[1,1,1-trifluoro-2-(fluoromethoxy)propan-2-yl]oxybutane
CID 54385801

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane (CID 15006626) is 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane is COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane?
The InChIKey is FEEBQLNLOQOPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F14O2/c1-24-7(8(18,19)20,9(21,22)23)25-2-4(12,13)6(16,17)5(14,15)3(10)11/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane?
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane has a molecular weight of 412.12 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)oxypentane is sourced from PubChem (CID 15006626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).