1-bromo-2,4-difluoro-3-methoxybenzene

C7H5BrF2O — CID 18371109

IUPAC1-bromo-2,4-difluoro-3-methoxybenzene
SMILESCOc1c(F)ccc(Br)c1F
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChIKeyRXNZFRZJZNMBBJ-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.74
Rot. Bonds1

About 1-bromo-2,4-difluoro-3-methoxybenzene

1-bromo-2,4-difluoro-3-methoxybenzene (PubChem CID 18371109) has the molecular formula C7H5BrF2O and a molecular weight of 223.02 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-3-methoxybenzene
PubChem CID18371109
Molecular FormulaC7H5BrF2O
Molecular Weight223.02 g/mol
Exact Mass221.95
IUPAC Name1-bromo-2,4-difluoro-3-methoxybenzene
SMILESCOc1c(F)ccc(Br)c1F
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChIKeyRXNZFRZJZNMBBJ-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
CID 131371820
4-bromo-N,N,3-trifluoro-2-methoxyaniline
CID 174352734
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
ethyl 6-bromo-3-fluoro-2-methoxybenzoate
CID 171010405
(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-3-methoxybenzene?
The IUPAC name of 1-bromo-2,4-difluoro-3-methoxybenzene (CID 18371109) is 1-bromo-2,4-difluoro-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-3-methoxybenzene?
The canonical SMILES for 1-bromo-2,4-difluoro-3-methoxybenzene is COc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-bromo-2,4-difluoro-3-methoxybenzene?
The InChIKey is RXNZFRZJZNMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3.
What are the key properties of 1-bromo-2,4-difluoro-3-methoxybenzene?
1-bromo-2,4-difluoro-3-methoxybenzene has a molecular weight of 223.02 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-3-methoxybenzene is sourced from PubChem (CID 18371109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).