(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine

C10H10BrF2NO — CID 107099666

IUPAC(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine
SMILESNC/C=C/COc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)15-4-2-1-3-14/h1-2,5-6H,3-4,14H2/b2-1+
InChIKeyWWYZDQXMIKJPSW-OWOJBTEDSA-N
MW278.10 g/mol
LogP2.62
Rot. Bonds4

About (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine

(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine (PubChem CID 107099666) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine
PubChem CID107099666
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine
SMILESNC/C=C/COc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)15-4-2-1-3-14/h1-2,5-6H,3-4,14H2/b2-1+
InChIKeyWWYZDQXMIKJPSW-OWOJBTEDSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-chlorophenoxy)but-2-en-1-amine
CID 77110626
2-(5-bromo-2,3-difluorophenoxy)ethanethioamide
CID 107098426
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
2-(5-bromo-2,3-difluorophenoxy)ethanimidamide
CID 107099812
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine?
The IUPAC name of (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine (CID 107099666) is (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine?
The canonical SMILES for (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine is NC/C=C/COc1cc(Br)cc(F)c1F.
What is the InChIKey of (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine?
The InChIKey is WWYZDQXMIKJPSW-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-7-5-8(12)10(13)9(6-7)15-4-2-1-3-14/h1-2,5-6H,3-4,14H2/b2-1+.
What are the key properties of (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine?
(E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine has a molecular weight of 278.10 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-bromo-2,3-difluorophenoxy)but-2-en-1-amine is sourced from PubChem (CID 107099666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).