1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene

C10H9F5O — CID 13234752

IUPAC1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene
SMILESCCOC(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-3-16-4(2)5-6(11)8(13)10(15)9(14)7(5)12/h4H,3H2,1-2H3
InChIKeyAQMCHCKSRVYVAE-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.48
Rot. Bonds3

About 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene

1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 13234752) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID13234752
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene
SMILESCCOC(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-3-16-4(2)5-6(11)8(13)10(15)9(14)7(5)12/h4H,3H2,1-2H3
InChIKeyAQMCHCKSRVYVAE-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
(1-Methoxyethyl)benzene
CID 19913
1-(Pentafluorophenyl)ethanol
CID 98288
5,6-dihydro-4-methyl-2-phenyl-2H-pyran
CID 108442
(S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
CID 6993305
(4-Fluorophenyl) methanol, tert.-butyl ether
CID 11830064
(R)-(+)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
CID 7014870
2-(3,4-Difluorophenyl)oxirane
CID 14372923
2-(2,3,4,5,6-Pentafluorophenyl)oxirane
CID 2775981
1-Fluoro-2-(methoxymethyl)benzene
CID 10351781
(1-Methoxybut-3-EN-1-YL)benzene
CID 10986565

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene (CID 13234752) is 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene is CCOC(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is AQMCHCKSRVYVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-3-16-4(2)5-6(11)8(13)10(15)9(14)7(5)12/h4H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene?
1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 240.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 13234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).