16-butoxy-1,1,1,2,2-pentafluorohexadecane

C20H37F5O — CID 59503915

IUPAC16-butoxy-1,1,1,2,2-pentafluorohexadecane
SMILESCCCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H37F5O/c1-2-3-17-26-18-15-13-11-9-7-5-4-6-8-10-12-14-16-19(21,22)20(23,24)25/h2-18H2,1H3
InChIKeyFZICBLVUVJCQOK-UHFFFAOYSA-N
MW388.51 g/mol
LogP8.07
Rot. Bonds18

About 16-butoxy-1,1,1,2,2-pentafluorohexadecane

16-butoxy-1,1,1,2,2-pentafluorohexadecane (PubChem CID 59503915) has the molecular formula C20H37F5O and a molecular weight of 388.51 g/mol. Its IUPAC name is 16-butoxy-1,1,1,2,2-pentafluorohexadecane.

Molecular Properties

Compound Name16-butoxy-1,1,1,2,2-pentafluorohexadecane
PubChem CID59503915
Molecular FormulaC20H37F5O
Molecular Weight388.51 g/mol
Exact Mass388.28
IUPAC Name16-butoxy-1,1,1,2,2-pentafluorohexadecane
SMILESCCCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C20H37F5O/c1-2-3-17-26-18-15-13-11-9-7-5-4-6-8-10-12-14-16-19(21,22)20(23,24)25/h2-18H2,1H3
InChIKeyFZICBLVUVJCQOK-UHFFFAOYSA-N
XLogP8.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl perfluorooctyl ether
CID 87277037
BIS(1,1,2,2-tetrahydroperfluorooctyl) ether
CID 11828643
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CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
1-(Difluoromethoxy)decane
CID 14400535
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606
1-(2,2,2-Trifluoroethoxy)docosane
CID 86009221
1-(Trifluoromethoxy)dodecane
CID 101034469
cis-10,10-Difluoro-14,15-epoxytricosane
CID 129776416

Frequently Asked Questions

What is the IUPAC name of 16-butoxy-1,1,1,2,2-pentafluorohexadecane?
The IUPAC name of 16-butoxy-1,1,1,2,2-pentafluorohexadecane (CID 59503915) is 16-butoxy-1,1,1,2,2-pentafluorohexadecane.
What is the SMILES notation for 16-butoxy-1,1,1,2,2-pentafluorohexadecane?
The canonical SMILES for 16-butoxy-1,1,1,2,2-pentafluorohexadecane is CCCCOCCCCCCCCCCCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 16-butoxy-1,1,1,2,2-pentafluorohexadecane?
The InChIKey is FZICBLVUVJCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F5O/c1-2-3-17-26-18-15-13-11-9-7-5-4-6-8-10-12-14-16-19(21,22)20(23,24)25/h2-18H2,1H3.
What are the key properties of 16-butoxy-1,1,1,2,2-pentafluorohexadecane?
16-butoxy-1,1,1,2,2-pentafluorohexadecane has a molecular weight of 388.51 g/mol, XLogP of 8.07, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-butoxy-1,1,1,2,2-pentafluorohexadecane is sourced from PubChem (CID 59503915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).