2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine

C9H7BrF3N — CID 142156954

IUPAC2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine
SMILES[H]/N=C/C(Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF3N/c10-8(5-14)6-1-3-7(4-2-6)9(11,12)13/h1-5,8,14H/b14-5+
InChIKeyDBWARHNZNLXLFB-LHHJGKSTSA-N
MW266.06 g/mol
LogP3.79
Rot. Bonds2

About 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine

2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 142156954) has the molecular formula C9H7BrF3N and a molecular weight of 266.06 g/mol. Its IUPAC name is 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID142156954
Molecular FormulaC9H7BrF3N
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine
SMILES[H]/N=C/C(Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF3N/c10-8(5-14)6-1-3-7(4-2-6)9(11,12)13/h1-5,8,14H/b14-5+
InChIKeyDBWARHNZNLXLFB-LHHJGKSTSA-N
XLogP3.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine (CID 142156954) is 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine is [H]/N=C/C(Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is DBWARHNZNLXLFB-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H7BrF3N/c10-8(5-14)6-1-3-7(4-2-6)9(11,12)13/h1-5,8,14H/b14-5+.
What are the key properties of 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine?
2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 266.06 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 142156954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).