1-bromo-4-fluoro-2-(methoxymethyl)benzene

C8H8BrFO — CID 2769414

IUPAC1-bromo-4-fluoro-2-(methoxymethyl)benzene
SMILESCOCc1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyVZDHNNAARQPBCA-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.73
Rot. Bonds2

About 1-bromo-4-fluoro-2-(methoxymethyl)benzene

1-bromo-4-fluoro-2-(methoxymethyl)benzene (PubChem CID 2769414) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-(methoxymethyl)benzene
PubChem CID2769414
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name1-bromo-4-fluoro-2-(methoxymethyl)benzene
SMILESCOCc1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyVZDHNNAARQPBCA-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-Bromo-4-fluorophenyl)methanol
CID 2773347
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
Benzyl 3-Bromopropyl Ether
CID 2776064
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
((4-Bromobutoxy)methyl)benzene
CID 4422181
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
4-Bromobenzyl methyl ether
CID 12662296
[(2,3-Dibromopropoxy)methyl]benzene
CID 12728677
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-(methoxymethyl)benzene?
The IUPAC name of 1-bromo-4-fluoro-2-(methoxymethyl)benzene (CID 2769414) is 1-bromo-4-fluoro-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-(methoxymethyl)benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-(methoxymethyl)benzene is COCc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-(methoxymethyl)benzene?
The InChIKey is VZDHNNAARQPBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 1-bromo-4-fluoro-2-(methoxymethyl)benzene?
1-bromo-4-fluoro-2-(methoxymethyl)benzene has a molecular weight of 219.05 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-(methoxymethyl)benzene is sourced from PubChem (CID 2769414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).