1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene

C8H5BrF4O — CID 54074008

IUPAC1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(OCCBr)c(F)c(F)c1F
InChIInChI=1S/C8H5BrF4O/c9-1-2-14-5-3-4(10)6(11)8(13)7(5)12/h3H,1-2H2
InChIKeyMIKXLVDYRBRJLC-UHFFFAOYSA-N
MW273.02 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene

1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene (PubChem CID 54074008) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene
PubChem CID54074008
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(OCCBr)c(F)c(F)c1F
InChIInChI=1S/C8H5BrF4O/c9-1-2-14-5-3-4(10)6(11)8(13)7(5)12/h3H,1-2H2
InChIKeyMIKXLVDYRBRJLC-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(3-bromopropoxy)-2,4,5-trifluorobenzene
CID 10890898
2-bromo-1-(2-bromoethoxy)-3,5-difluorobenzene
CID 122582944
2-(bromomethyl)-1-ethoxy-3,4,5-trifluorobenzene
CID 122361199
1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene
CID 90981394
2,3-dibromo-1-ethoxy-4,5-difluorobenzene
CID 118813468
(2,3,4,5-tetrafluorophenoxy)methylidenerhodium
CID 11071840
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
CID 107100400
2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
CID 134573994
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene?
The IUPAC name of 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene (CID 54074008) is 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene?
The canonical SMILES for 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene is Fc1cc(OCCBr)c(F)c(F)c1F.
What is the InChIKey of 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene?
The InChIKey is MIKXLVDYRBRJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O/c9-1-2-14-5-3-4(10)6(11)8(13)7(5)12/h3H,1-2H2.
What are the key properties of 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene?
1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene has a molecular weight of 273.02 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2,3,4,5-tetrafluorobenzene is sourced from PubChem (CID 54074008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).