4-(4-bromo-3-fluorophenyl)but-3-en-1-amine

C10H11BrFN — CID 170487945

IUPAC4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-4-8(7-10(9)12)3-1-2-6-13/h1,3-5,7H,2,6,13H2
InChIKeyXFXPMOFWDHJFII-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.95
Rot. Bonds3

About 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine

4-(4-bromo-3-fluorophenyl)but-3-en-1-amine (PubChem CID 170487945) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
PubChem CID170487945
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
SMILESNCCC=Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFN/c11-9-5-4-8(7-10(9)12)3-1-2-6-13/h1,3-5,7H,2,6,13H2
InChIKeyXFXPMOFWDHJFII-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
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4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine
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4-(4-fluorophenyl)but-3-en-1-amine
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CID 63969673
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
4-(4-aminobut-1-enyl)-2,6-difluorobenzaldehyde
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4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487396
4-(4-aminobut-1-enyl)benzaldehyde
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2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine (CID 170487945) is 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine is NCCC=Cc1ccc(Br)c(F)c1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine?
The InChIKey is XFXPMOFWDHJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-5-4-8(7-10(9)12)3-1-2-6-13/h1,3-5,7H,2,6,13H2.
What are the key properties of 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine?
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)but-3-en-1-amine is sourced from PubChem (CID 170487945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).