1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene

C11H13BrF2O2 — CID 106269997

IUPAC1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
SMILESCOCC(C)OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-7(5-15-2)16-6-8-10(13)4-3-9(12)11(8)14/h3-4,7H,5-6H2,1-2H3
InChIKeyKPTHAUJZOIFBTG-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.28
Rot. Bonds5

About 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene

1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene (PubChem CID 106269997) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
PubChem CID106269997
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
SMILESCOCC(C)OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H13BrF2O2/c1-7(5-15-2)16-6-8-10(13)4-3-9(12)11(8)14/h3-4,7H,5-6H2,1-2H3
InChIKeyKPTHAUJZOIFBTG-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
CID 106274511
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methoxybutan-2-amine
CID 114165683
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 106263862
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
CID 106264551
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 114165705
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]-3-fluorophenyl]ethanol
CID 106264434
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
CID 106268713
2-(3-bromo-2,6-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 106943435
1-bromo-3-(2-ethylhexoxymethyl)-2,4-difluorobenzene
CID 114166530
N-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106263911

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene?
The IUPAC name of 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene (CID 106269997) is 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene?
The canonical SMILES for 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene is COCC(C)OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene?
The InChIKey is KPTHAUJZOIFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-7(5-15-2)16-6-8-10(13)4-3-9(12)11(8)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene?
1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene has a molecular weight of 295.12 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene is sourced from PubChem (CID 106269997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).