2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene

C9H6BrF3 — CID 169475296

IUPAC2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
SMILESFc1ccc(F)c(C=CCBr)c1F
InChIInChI=1S/C9H6BrF3/c10-5-1-2-6-7(11)3-4-8(12)9(6)13/h1-4H,5H2
InChIKeyTVZJMZBWXLXFIW-UHFFFAOYSA-N
MW251.04 g/mol
LogP3.51
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene

2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene (PubChem CID 169475296) has the molecular formula C9H6BrF3 and a molecular weight of 251.04 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
PubChem CID169475296
Molecular FormulaC9H6BrF3
Molecular Weight251.04 g/mol
Exact Mass249.96
IUPAC Name2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
SMILESFc1ccc(F)c(C=CCBr)c1F
InChIInChI=1S/C9H6BrF3/c10-5-1-2-6-7(11)3-4-8(12)9(6)13/h1-4H,5H2
InChIKeyTVZJMZBWXLXFIW-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
CID 169473405
3-(3-bromo-2,6-difluorophenyl)prop-2-ene-1-thiol
CID 169456341
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
3-(2,3,6-trifluorophenyl)prop-2-enal
CID 169458927
3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
CID 169453360
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
4-(6-amino-2,3-difluorophenyl)but-3-enal
CID 170481910
(E)-3-(2,3,6-trifluorophenyl)prop-2-enoyl chloride
CID 146639805
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
tert-butyl N-[4-(2,3,6-trifluorophenyl)but-3-enyl]carbamate
CID 170490252
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene?
The IUPAC name of 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene (CID 169475296) is 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene is Fc1ccc(F)c(C=CCBr)c1F.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene?
The InChIKey is TVZJMZBWXLXFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3/c10-5-1-2-6-7(11)3-4-8(12)9(6)13/h1-4H,5H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene?
2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene has a molecular weight of 251.04 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene is sourced from PubChem (CID 169475296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).