4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene

C14H12BrFO — CID 54220444

IUPAC4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccccc1-c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFO/c1-17-9-10-4-2-3-5-12(10)13-7-6-11(15)8-14(13)16/h2-8H,9H2,1H3
InChIKeyQCEVCFOOURTMDK-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.40
Rot. Bonds3

About 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene

4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene (PubChem CID 54220444) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene
PubChem CID54220444
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccccc1-c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrFO/c1-17-9-10-4-2-3-5-12(10)13-7-6-11(15)8-14(13)16/h2-8H,9H2,1H3
InChIKeyQCEVCFOOURTMDK-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene (CID 54220444) is 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene is COCc1ccccc1-c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene?
The InChIKey is QCEVCFOOURTMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-17-9-10-4-2-3-5-12(10)13-7-6-11(15)8-14(13)16/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene?
4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene has a molecular weight of 295.15 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[2-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 54220444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).