(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine

C10H11BrFN — CID 131240457

IUPAC(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cccc(Br)c1F
InChIInChI=1S/C10H11BrFN/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-7H,13H2,1H3/b6-5+
InChIKeyZPTKFAZMLYEZNF-AATRIKPKSA-N
MW244.11 g/mol
LogP2.95
Rot. Bonds2

About (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine

(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine (PubChem CID 131240457) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine
PubChem CID131240457
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine
SMILESCC(N)/C=C/c1cccc(Br)c1F
InChIInChI=1S/C10H11BrFN/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-7H,13H2,1H3/b6-5+
InChIKeyZPTKFAZMLYEZNF-AATRIKPKSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
CID 103091649
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
CID 103091591
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
2-fluoro-1-methoxy-3-[(E)-3-methylbut-1-enyl]benzene
CID 58566552
ethyl (E)-3-(3-bromo-2-fluorophenyl)prop-2-enoate;ethyl (E)-3-(2-fluoro-3-methylphenyl)prop-2-enoate;methane
CID 159629567
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
CID 103091627
(1R)-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 130797873
3-amino-1-(3-bromo-2-fluorophenyl)-2-methylbutan-1-one
CID 106647287
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine (CID 131240457) is (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine is CC(N)/C=C/c1cccc(Br)c1F.
What is the InChIKey of (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine?
The InChIKey is ZPTKFAZMLYEZNF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-7(13)5-6-8-3-2-4-9(11)10(8)12/h2-7H,13H2,1H3/b6-5+.
What are the key properties of (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine?
(E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine has a molecular weight of 244.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-bromo-2-fluorophenyl)but-3-en-2-amine is sourced from PubChem (CID 131240457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).