1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene

C9H7BrClFO — CID 18791037

IUPAC1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C9H7BrClFO/c1-2-3-13-9-4-6(10)8(12)5-7(9)11/h2,4-5H,1,3H2
InChIKeyAOTYHJXDLTVRAX-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.81
Rot. Bonds3

About 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene

1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene (PubChem CID 18791037) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene
PubChem CID18791037
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene
SMILESC=CCOc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C9H7BrClFO/c1-2-3-13-9-4-6(10)8(12)5-7(9)11/h2,4-5H,1,3H2
InChIKeyAOTYHJXDLTVRAX-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Bromoethoxy)-2-chlorobenzene
CID 2384207
5-Bromo-2-chloroanisole
CID 2769567
Allyl 4-bromo-2-chlorophenyl ether
CID 3359713
5-Bromo-1-chloro-3-fluoro-2-methoxybenzene
CID 2773260
5-Bromo-2-chloro-4-fluoroanisole
CID 10220378
4-Bromo-1-chloro-2-(trifluoromethoxy)benzene
CID 22730202
4-Bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
4-Bromo-1-chloro-2-ethoxybenzene
CID 50998187
4-Bromo-1-chloro-2-cyclopropoxybenzene
CID 58007571
4-Bromo-1-chloro-2-(2,2-difluoroethoxy)benzene
CID 64037606
1-Bromo-2-chloro-3-(cyclohexyloxy)benzene
CID 86681310
1-Chloro-2-(2,2,2-trifluoroethoxy)benzene
CID 13004567

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene?
The IUPAC name of 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene (CID 18791037) is 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene?
The canonical SMILES for 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene is C=CCOc1cc(Br)c(F)cc1Cl.
What is the InChIKey of 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene?
The InChIKey is AOTYHJXDLTVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c1-2-3-13-9-4-6(10)8(12)5-7(9)11/h2,4-5H,1,3H2.
What are the key properties of 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene?
1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene has a molecular weight of 265.51 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-fluoro-5-prop-2-enoxybenzene is sourced from PubChem (CID 18791037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).