1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene

C10H9BrClFO — CID 106438543

IUPAC1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene
SMILESC/C(=C/Cl)COc1cc(F)cc(Br)c1
InChIInChI=1S/C10H9BrClFO/c1-7(5-12)6-14-10-3-8(11)2-9(13)4-10/h2-5H,6H2,1H3/b7-5-
InChIKeyXHTQGCQCGHNWEA-ALCCZGGFSA-N
MW279.54 g/mol
LogP4.11
Rot. Bonds3

About 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene

1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene (PubChem CID 106438543) has the molecular formula C10H9BrClFO and a molecular weight of 279.54 g/mol. Its IUPAC name is 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene
PubChem CID106438543
Molecular FormulaC10H9BrClFO
Molecular Weight279.54 g/mol
Exact Mass277.95
IUPAC Name1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene
SMILESC/C(=C/Cl)COc1cc(F)cc(Br)c1
InChIInChI=1S/C10H9BrClFO/c1-7(5-12)6-14-10-3-8(11)2-9(13)4-10/h2-5H,6H2,1H3/b7-5-
InChIKeyXHTQGCQCGHNWEA-ALCCZGGFSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
CID 106440271
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
1-bromo-3-[2-(chloromethyl)prop-2-enoxy]-5-fluorobenzene
CID 103066166
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81331985
2-(3-bromo-5-fluorophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 81331611
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
CID 106440888
2-(3-bromo-5-fluorophenoxy)-N-butan-2-ylacetamide
CID 80964753
4-bromo-1-chloro-2-[(Z)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106438538

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene (CID 106438543) is 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene is C/C(=C/Cl)COc1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene?
The InChIKey is XHTQGCQCGHNWEA-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H9BrClFO/c1-7(5-12)6-14-10-3-8(11)2-9(13)4-10/h2-5H,6H2,1H3/b7-5-.
What are the key properties of 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene?
1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene has a molecular weight of 279.54 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorobenzene is sourced from PubChem (CID 106438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).