(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine

C11H11BrF2N2 — CID 156650923

IUPAC(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(C(\Br)=C/N)/c1ccccc1C(F)F
InChIInChI=1S/C11H11BrF2N2/c1-16-10(9(12)6-15)7-4-2-3-5-8(7)11(13)14/h2-6,11H,15H2,1H3/b9-6+,16-10-
InChIKeyIFFRMSCBZIZGNB-RKQKHZQPSA-N
MW289.12 g/mol
LogP3.24
Rot. Bonds3

About (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine

(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 156650923) has the molecular formula C11H11BrF2N2 and a molecular weight of 289.12 g/mol. Its IUPAC name is (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine
PubChem CID156650923
Molecular FormulaC11H11BrF2N2
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(C(\Br)=C/N)/c1ccccc1C(F)F
InChIInChI=1S/C11H11BrF2N2/c1-16-10(9(12)6-15)7-4-2-3-5-8(7)11(13)14/h2-6,11H,15H2,1H3/b9-6+,16-10-
InChIKeyIFFRMSCBZIZGNB-RKQKHZQPSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine (CID 156650923) is (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine is C/N=C(C(\Br)=C/N)/c1ccccc1C(F)F.
What is the InChIKey of (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is IFFRMSCBZIZGNB-RKQKHZQPSA-N. The full InChI is InChI=1S/C11H11BrF2N2/c1-16-10(9(12)6-15)7-4-2-3-5-8(7)11(13)14/h2-6,11H,15H2,1H3/b9-6+,16-10-.
What are the key properties of (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine?
(E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 289.12 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-3-[2-(difluoromethyl)phenyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 156650923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).