1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene

C10H9BrF2O — CID 169475772

IUPAC1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
SMILESCOc1cc(F)c(F)cc1C=CCBr
InChIInChI=1S/C10H9BrF2O/c1-14-10-6-9(13)8(12)5-7(10)3-2-4-11/h2-3,5-6H,4H2,1H3
InChIKeyPBUVBKBJKYMYHH-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene

1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene (PubChem CID 169475772) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
PubChem CID169475772
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
SMILESCOc1cc(F)c(F)cc1C=CCBr
InChIInChI=1S/C10H9BrF2O/c1-14-10-6-9(13)8(12)5-7(10)3-2-4-11/h2-3,5-6H,4H2,1H3
InChIKeyPBUVBKBJKYMYHH-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.38
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

5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
4-(3-bromoprop-1-enyl)-2-methoxybenzaldehyde
CID 169475725
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene
CID 169476604
2-bromo-1-(3-bromoprop-1-enyl)-4-methoxybenzene
CID 169476606
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
2-(3-bromoprop-1-enyl)-6-methoxybenzonitrile
CID 169475910
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene (CID 169475772) is 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene is COc1cc(F)c(F)cc1C=CCBr.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene?
The InChIKey is PBUVBKBJKYMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c1-14-10-6-9(13)8(12)5-7(10)3-2-4-11/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene?
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene has a molecular weight of 263.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene is sourced from PubChem (CID 169475772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).