1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene

C26H41F5O2 — CID 151908395

IUPAC1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
SMILESCCCCCCCCC(CCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)(OCC)OCC
InChIInChI=1S/C26H41F5O2/c1-5-8-9-10-11-13-16-19(26(4,32-6-2)33-7-3)17-14-12-15-18-20-21(27)23(29)25(31)24(30)22(20)28/h19H,5-18H2,1-4H3
InChIKeySUFRDARGEHVSMO-UHFFFAOYSA-N
MW480.60 g/mol
LogP8.64
Rot. Bonds18

About 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene

1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 151908395) has the molecular formula C26H41F5O2 and a molecular weight of 480.60 g/mol. Its IUPAC name is 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID151908395
Molecular FormulaC26H41F5O2
Molecular Weight480.60 g/mol
Exact Mass480.30
IUPAC Name1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
SMILESCCCCCCCCC(CCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)(OCC)OCC
InChIInChI=1S/C26H41F5O2/c1-5-8-9-10-11-13-16-19(26(4,32-6-2)33-7-3)17-14-12-15-18-20-21(27)23(29)25(31)24(30)22(20)28/h19H,5-18H2,1-4H3
InChIKeySUFRDARGEHVSMO-UHFFFAOYSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,1-diethoxy-2-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]decan-1-ol
CID 151896804
1,1-diethoxy-2-octyl-12-(2,3,4,5,6-pentafluorophenyl)dodecan-1-ol
CID 150317505
1,2,3,4,5-pentafluoro-6-[5-[tri(propan-2-yloxy)methyl]tridecyl]benzene
CID 150781064
1,2,3,4,5-pentafluoro-6-[11-(tripropoxymethyl)nonadecyl]benzene
CID 172758790
1-[11-(1,1-dimethoxypropyl)nonadecyl]-2,3,4,5,6-pentafluorobenzene
CID 151173394
1,1-dimethoxy-2-octyl-12-(2,3,4,5,6-pentafluorophenyl)dodecan-1-ol
CID 150937440
1,2,3,4,5-pentafluoro-6-[2-methyl-4-(triethoxymethyl)dodecyl]benzene
CID 172747189
1-[9-[dimethoxy(propan-2-yloxy)methyl]heptadecyl]-2,3,4,5,6-pentafluorobenzene
CID 151377315
2-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]-1,1-di(propan-2-yloxy)decan-1-ol
CID 151900182
1-[4-(1,1-diethoxyethyl)dodecyl]-4-(trifluoromethyl)benzene
CID 150416449
1-[7-(diethoxymethoxy)hexadecyl]-2,3,4,5,6-pentafluorobenzene
CID 152535198
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene (CID 151908395) is 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene is CCCCCCCCC(CCCCCc1c(F)c(F)c(F)c(F)c1F)C(C)(OCC)OCC.
What is the InChIKey of 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is SUFRDARGEHVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41F5O2/c1-5-8-9-10-11-13-16-19(26(4,32-6-2)33-7-3)17-14-12-15-18-20-21(27)23(29)25(31)24(30)22(20)28/h19H,5-18H2,1-4H3.
What are the key properties of 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene?
1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 480.60 g/mol, XLogP of 8.64, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 151908395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).