N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline

C13H12Br2F3N — CID 162410082

IUPACN,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline
SMILESC=C(Br)CN(CC(=C)Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12Br2F3N/c1-9(14)7-19(8-10(2)15)12-5-3-11(4-6-12)13(16,17)18/h3-6H,1-2,7-8H2
InChIKeyVBUAAKBCUHHZCY-UHFFFAOYSA-N
MW399.05 g/mol
LogP5.33
Rot. Bonds5

About N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline

N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline (PubChem CID 162410082) has the molecular formula C13H12Br2F3N and a molecular weight of 399.05 g/mol. Its IUPAC name is N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline
PubChem CID162410082
Molecular FormulaC13H12Br2F3N
Molecular Weight399.05 g/mol
Exact Mass396.93
IUPAC NameN,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline
SMILESC=C(Br)CN(CC(=C)Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12Br2F3N/c1-9(14)7-19(8-10(2)15)12-5-3-11(4-6-12)13(16,17)18/h3-6H,1-2,7-8H2
InChIKeyVBUAAKBCUHHZCY-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.05
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-ethenyl-N,N-diethylaniline
CID 6429430
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CID 137293
N-Methyl-4-(trifluoromethyl)aniline
CID 15099755
{4-[4-(Trifluoromethyl)phenyl]-1-piperazinyl}acetonitrile
CID 850944
N,N-diethyl-4-[(E)-2-(2-fluorophenyl)ethenyl]aniline
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline (CID 162410082) is N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline is C=C(Br)CN(CC(=C)Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline?
The InChIKey is VBUAAKBCUHHZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2F3N/c1-9(14)7-19(8-10(2)15)12-5-3-11(4-6-12)13(16,17)18/h3-6H,1-2,7-8H2.
What are the key properties of N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline?
N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline has a molecular weight of 399.05 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-bromoprop-2-enyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 162410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).