(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine

C10H9BrF3N — CID 115051480

IUPAC(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C(\c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF3N/c11-9-4-2-1-3-7(9)8(5-6-15)10(12,13)14/h1-5H,6,15H2/b8-5+
InChIKeyUJBLHMVLUBBBPH-VMPITWQZSA-N
MW280.09 g/mol
LogP3.35
Rot. Bonds2

About (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine

(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine (PubChem CID 115051480) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine
PubChem CID115051480
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C(\c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H9BrF3N/c11-9-4-2-1-3-7(9)8(5-6-15)10(12,13)14/h1-5H,6,15H2/b8-5+
InChIKeyUJBLHMVLUBBBPH-VMPITWQZSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
CID 115028997
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CID 115029863
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712
1-bromo-2-[3-[2-(2-bromophenyl)prop-2-enoxy]prop-1-en-2-yl]benzene
CID 66684676
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CID 10071435
2-bromobenzamide;hydrochloride
CID 68911907
1-bromo-2-(1,2-dibromoethenyl)benzene
CID 135084466
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
CID 145320923
2-(2-bromophenyl)-2-oxoacetic acid
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2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934015

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The IUPAC name of (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine (CID 115051480) is (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The canonical SMILES for (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine is NC/C=C(\c1ccccc1Br)C(F)(F)F.
What is the InChIKey of (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The InChIKey is UJBLHMVLUBBBPH-VMPITWQZSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-9-4-2-1-3-7(9)8(5-6-15)10(12,13)14/h1-5H,6,15H2/b8-5+.
What are the key properties of (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine?
(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine has a molecular weight of 280.09 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine is sourced from PubChem (CID 115051480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).