1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene

C11H11F5O2 — CID 91691408

IUPAC1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5O2/c1-2-3-17-4-5-18-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3
InChIKeyUAXMFRMBWXFQPG-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.19
Rot. Bonds6

About 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene

1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene (PubChem CID 91691408) has the molecular formula C11H11F5O2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene
PubChem CID91691408
Molecular FormulaC11H11F5O2
Molecular Weight270.20 g/mol
Exact Mass270.07
IUPAC Name1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5O2/c1-2-3-17-4-5-18-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3
InChIKeyUAXMFRMBWXFQPG-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.19
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'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
CID 103553765
trimethyl-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]silane
CID 91696456
1,2,3,4,5-pentafluoro-6-(2-propan-2-yloxyethoxy)benzene
CID 89251421
2,3,5,6-tetrafluoro-4-propoxybenzoic acid
CID 4772907
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
dimethyl-bis[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]azanium
CID 155656975
1-(3-ethyl-2,4,5,6-tetrafluorophenoxy)-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 166479482
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
3,5-dimethyl-4-(2-propoxyethoxy)benzaldehyde
CID 106453020
1-O-heptyl 4-O-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl] butanedioate
CID 91738049
N-ethyl-4-(2,3,4,5,6-pentafluorophenoxy)butan-1-amine
CID 62583045

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene (CID 91691408) is 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene is CCCOCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene?
The InChIKey is UAXMFRMBWXFQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O2/c1-2-3-17-4-5-18-11-9(15)7(13)6(12)8(14)10(11)16/h2-5H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene?
1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene has a molecular weight of 270.20 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene is sourced from PubChem (CID 91691408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).