2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene

C10H6BrCl2F3 — CID 169476243

IUPAC2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(C=CCBr)c(Cl)c1
InChIInChI=1S/C10H6BrCl2F3/c11-3-1-2-7-8(12)4-6(5-9(7)13)10(14,15)16/h1-2,4-5H,3H2
InChIKeyVPWKEIGILNTMBY-UHFFFAOYSA-N
MW333.96 g/mol
LogP5.42
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene

2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene (PubChem CID 169476243) has the molecular formula C10H6BrCl2F3 and a molecular weight of 333.96 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
PubChem CID169476243
Molecular FormulaC10H6BrCl2F3
Molecular Weight333.96 g/mol
Exact Mass331.90
IUPAC Name2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)c(C=CCBr)c(Cl)c1
InChIInChI=1S/C10H6BrCl2F3/c11-3-1-2-7-8(12)4-6(5-9(7)13)10(14,15)16/h1-2,4-5H,3H2
InChIKeyVPWKEIGILNTMBY-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.96
LogP ≤ 55.42
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

4-[2,6-dichloro-4-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800501
1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
CID 169476529
4-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170496555
3-(3-bromoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169476273
1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
CID 169476626
2-(bromomethyl)-3-chloro-5-(trifluoromethyl)aniline
CID 119017440
1-(4-bromobut-1-enyl)-3-chloro-5-(trifluoromethyl)benzene
CID 170497935
[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
CID 169476264
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
2-(3-bromoprop-1-enyl)-3-chlorophenol
CID 169476663

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene (CID 169476243) is 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)c(C=CCBr)c(Cl)c1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene?
The InChIKey is VPWKEIGILNTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2F3/c11-3-1-2-7-8(12)4-6(5-9(7)13)10(14,15)16/h1-2,4-5H,3H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene?
2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene has a molecular weight of 333.96 g/mol, XLogP of 5.42, 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-dichloro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169476243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).