1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene

C10H7Br2F3 — CID 169476626

IUPAC1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(C=CCBr)c1
InChIInChI=1S/C10H7Br2F3/c11-5-1-2-7-6-8(10(13,14)15)3-4-9(7)12/h1-4,6H,5H2
InChIKeyNODFUGZXJVRJTD-UHFFFAOYSA-N
MW343.97 g/mol
LogP4.88
Rot. Bonds2

About 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene

1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene (PubChem CID 169476626) has the molecular formula C10H7Br2F3 and a molecular weight of 343.97 g/mol. Its IUPAC name is 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
PubChem CID169476626
Molecular FormulaC10H7Br2F3
Molecular Weight343.97 g/mol
Exact Mass341.89
IUPAC Name1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Br)c(C=CCBr)c1
InChIInChI=1S/C10H7Br2F3/c11-5-1-2-7-6-8(10(13,14)15)3-4-9(7)12/h1-4,6H,5H2
InChIKeyNODFUGZXJVRJTD-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.97
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
CID 169476529
[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
CID 169476264
1-bromo-4-(3-bromoprop-1-enyl)-2-(trifluoromethyl)benzene
CID 169476528
4-[2-bromo-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170488006
1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene
CID 150645095
2-[(E)-3-bromoprop-1-enyl]-3-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58917974
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
CID 169474120
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169476062
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409
3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-ene-1-thiol
CID 169455779

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene (CID 169476626) is 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Br)c(C=CCBr)c1.
What is the InChIKey of 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene?
The InChIKey is NODFUGZXJVRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3/c11-5-1-2-7-6-8(10(13,14)15)3-4-9(7)12/h1-4,6H,5H2.
What are the key properties of 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene?
1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene has a molecular weight of 343.97 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 169476626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).