1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene

C19H27F5O4 — CID 150402814

IUPAC1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene
SMILESCCCCCCCCC(COc1c(F)c(F)c(F)c(F)c1F)OC(OC)OC
InChIInChI=1S/C19H27F5O4/c1-4-5-6-7-8-9-10-12(28-19(25-2)26-3)11-27-18-16(23)14(21)13(20)15(22)17(18)24/h12,19H,4-11H2,1-3H3
InChIKeyHECYVPBBPJKMCA-UHFFFAOYSA-N
MW414.41 g/mol
LogP5.47
Rot. Bonds14

About 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene

1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene (PubChem CID 150402814) has the molecular formula C19H27F5O4 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene
PubChem CID150402814
Molecular FormulaC19H27F5O4
Molecular Weight414.41 g/mol
Exact Mass414.18
IUPAC Name1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene
SMILESCCCCCCCCC(COc1c(F)c(F)c(F)c(F)c1F)OC(OC)OC
InChIInChI=1S/C19H27F5O4/c1-4-5-6-7-8-9-10-12(28-19(25-2)26-3)11-27-18-16(23)14(21)13(20)15(22)17(18)24/h12,19H,4-11H2,1-3H3
InChIKeyHECYVPBBPJKMCA-UHFFFAOYSA-N
XLogP5.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2-(2-methoxypropan-2-yl)decoxy]benzene
CID 150070141
1-[7-(diethoxymethoxy)hexadecyl]-2,3,4,5,6-pentafluorobenzene
CID 152535198
(2,3,4,5,6-pentafluorophenyl) N-[2-(diethoxymethoxy)undecyl]carbamate
CID 157104676
1,2,3,4,5-pentafluoro-6-[4-(triethoxymethyl)dodecoxy]benzene
CID 151799681
(5S)-5-methoxyundecane
CID 118889956
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene
CID 59676491
3-pentadecan-3-yloxypentadecane
CID 57200588
3-icosan-3-yloxyicosane
CID 22595200
1,2,3,4-tetrafluoro-5-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene
CID 59414756
1-[2-(diethoxymethoxy)undecyl]-3,5-difluorobenzene
CID 151723088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene (CID 150402814) is 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene is CCCCCCCCC(COc1c(F)c(F)c(F)c(F)c1F)OC(OC)OC.
What is the InChIKey of 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is HECYVPBBPJKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F5O4/c1-4-5-6-7-8-9-10-12(28-19(25-2)26-3)11-27-18-16(23)14(21)13(20)15(22)17(18)24/h12,19H,4-11H2,1-3H3.
What are the key properties of 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene?
1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 414.41 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethoxymethoxy)decoxy]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 150402814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).