1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene

C11H11BrClFO — CID 103396342

IUPAC1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)C1CC1
InChIInChI=1S/C11H11BrClFO/c1-15-10-5-9(14)8(12)4-7(10)11(13)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKeyGCLXGQBAJKOBSH-UHFFFAOYSA-N
MW293.56 g/mol
LogP4.29
Rot. Bonds3

About 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene

1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 103396342) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID103396342
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(F)c(Br)cc1C(Cl)C1CC1
InChIInChI=1S/C11H11BrClFO/c1-15-10-5-9(14)8(12)4-7(10)11(13)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKeyGCLXGQBAJKOBSH-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865876
2-[(5-bromo-4-fluoro-2-methoxyphenyl)-chloromethyl]bicyclo[2.2.1]heptane
CID 103396366
1-bromo-5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396390
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-cyclopropylethanamine
CID 103394387
4-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]oxane
CID 103396456
1-bromo-5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396173
3-[bromo-(5-bromo-4-fluoro-2-methoxyphenyl)methyl]bicyclo[3.1.0]hexane
CID 103396537
3-[(5-bromo-4-fluoro-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 103396318
1-bromo-5-(1-chloro-2,2,3,3-tetrafluoropropyl)-2-fluoro-4-methoxybenzene
CID 103396376
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 103394465

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene (CID 103396342) is 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene is COc1cc(F)c(Br)cc1C(Cl)C1CC1.
What is the InChIKey of 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is GCLXGQBAJKOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c1-15-10-5-9(14)8(12)4-7(10)11(13)6-2-3-6/h4-6,11H,2-3H2,1H3.
What are the key properties of 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene?
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 293.56 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 103396342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).