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

C10H6F16O — CID 58114530

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane
SMILESCC(F)(F)C(F)(F)COC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c1-4(12,13)5(14,15)2-27-6(16,3(11)7(17,18)19)8(20,9(21,22)23)10(24,25)26/h3H,2H2,1H3
InChIKeyGDFIBYDYYFUORJ-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.69
Rot. Bonds6

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

1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane (PubChem CID 58114530) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane
PubChem CID58114530
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane
SMILESCC(F)(F)C(F)(F)COC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c1-4(12,13)5(14,15)2-27-6(16,3(11)7(17,18)19)8(20,9(21,22)23)10(24,25)26/h3H,2H2,1H3
InChIKeyGDFIBYDYYFUORJ-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.69
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-3-(2,2,3,3-tetrafluorobutoxy)-2-(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
1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
2-(Difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
CID 18798724
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane (CID 58114530) is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane is CC(F)(F)C(F)(F)COC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane?
The InChIKey is GDFIBYDYYFUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c1-4(12,13)5(14,15)2-27-6(16,3(11)7(17,18)19)8(20,9(21,22)23)10(24,25)26/h3H,2H2,1H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane has a molecular weight of 446.13 g/mol, XLogP of 5.69, 6 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-3-(2,2,3,3-tetrafluorobutoxy)-2-(trifluoromethyl)pentane is sourced from PubChem (CID 58114530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).