1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane

C11H4F20O — CID 58537761

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F20O/c12-2(5(17,9(23,24)25)10(26,27)28)7(20,11(29,30)31)32-1-4(15,16)8(21,22)6(18,19)3(13)14/h2-3H,1H2
InChIKeyXBAIWROEZZSJCR-UHFFFAOYSA-N
MW532.11 g/mol
LogP6.57
Rot. Bonds8

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane (PubChem CID 58537761) has the molecular formula C11H4F20O and a molecular weight of 532.11 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane
PubChem CID58537761
Molecular FormulaC11H4F20O
Molecular Weight532.11 g/mol
Exact Mass531.99
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H4F20O/c12-2(5(17,9(23,24)25)10(26,27)28)7(20,11(29,30)31)32-1-4(15,16)8(21,22)6(18,19)3(13)14/h2-3H,1H2
InChIKeyXBAIWROEZZSJCR-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.11
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane 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

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158
Tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether
CID 137423381
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 14004511
Hexafluorisopropylmethylather
CID 129635123
Tetrafluoropropyl octafluoro-pentyl ether
CID 129761689
4-Ethoxy-1,1,1,2,2,3,3,5,6,6,6-undecafluoro-5-(trifluoromethyl)hexane
CID 178337815
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,2,2,3,3,4,4-Octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
CID 91694313
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2,2,3,3,4,4,5,5-Octafluoropentyl-1',1',2',3',3',3'-hexafluoropropyl ether
CID 144096

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane (CID 58537761) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane?
The InChIKey is XBAIWROEZZSJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F20O/c12-2(5(17,9(23,24)25)10(26,27)28)7(20,11(29,30)31)32-1-4(15,16)8(21,22)6(18,19)3(13)14/h2-3H,1H2.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane has a molecular weight of 532.11 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 58537761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).