1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene

C10H10BrFO — CID 169475359

IUPAC1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cccc1C=CCBr
InChIInChI=1S/C10H10BrFO/c1-13-10-8(5-3-7-11)4-2-6-9(10)12/h2-6H,7H2,1H3
InChIKeyDMQXPQBSHLRKTL-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene

1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene (PubChem CID 169475359) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
PubChem CID169475359
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cccc1C=CCBr
InChIInChI=1S/C10H10BrFO/c1-13-10-8(5-3-7-11)4-2-6-9(10)12/h2-6H,7H2,1H3
InChIKeyDMQXPQBSHLRKTL-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.24
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

3-(3-fluoro-2-methoxyphenyl)prop-2-ene-1-thiol
CID 169455021
4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
CID 170476426
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
1-(3-bromoprop-1-enyl)-2-chloro-3-methoxybenzene
CID 169476604
2-(3-bromoprop-1-enyl)-6-methoxybenzonitrile
CID 169475910
[2-[(E)-3-bromoprop-1-enyl]-6-methylphenyl] acetate
CID 11959808
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
1-(3-bromoprop-1-enyl)-2-(dimethoxymethyl)benzene
CID 169475971
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
3-(2,3-dimethoxyphenyl)prop-2-ene-1-thiol
CID 169456447
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene (CID 169475359) is 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene is COc1c(F)cccc1C=CCBr.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene?
The InChIKey is DMQXPQBSHLRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-13-10-8(5-3-7-11)4-2-6-9(10)12/h2-6H,7H2,1H3.
What are the key properties of 1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene?
1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene has a molecular weight of 245.09 g/mol, XLogP of 3.24, 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)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 169475359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).