(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C8H10BrClF3NO — CID 171219567

IUPAC(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C8H9BrF3NO.ClH/c9-7-2-1-6(14-7)5(13)3-4-8(10,11)12;/h1-2,5H,3-4,13H2;1H/t5-;/m0./s1
InChIKeyKUPKHHGZADYWAO-JEDNCBNOSA-N
MW308.53 g/mol
LogP3.81
Rot. Bonds3

About (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171219567) has the molecular formula C8H10BrClF3NO and a molecular weight of 308.53 g/mol. Its IUPAC name is (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171219567
Molecular FormulaC8H10BrClF3NO
Molecular Weight308.53 g/mol
Exact Mass306.96
IUPAC Name(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C8H9BrF3NO.ClH/c9-7-2-1-6(14-7)5(13)3-4-8(10,11)12;/h1-2,5H,3-4,13H2;1H/t5-;/m0./s1
InChIKeyKUPKHHGZADYWAO-JEDNCBNOSA-N
XLogP3.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-bromofuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171219569
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
CID 130817286
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
1-(5-bromofuran-2-yl)-2-fluoroethanamine
CID 83820366
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
2-amino-2-(5-bromofuran-2-yl)ethanol
CID 82659275
(1S)-1-(5-bromofuran-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171219563
(1R)-1-(5-bromofuran-2-yl)-2,2-difluoroethanamine
CID 130673890
3-amino-3-(5-bromofuran-2-yl)propanoic acid
CID 24706376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171219567) is (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@@H](CCC(F)(F)F)c1ccc(Br)o1.
What is the InChIKey of (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is KUPKHHGZADYWAO-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9BrF3NO.ClH/c9-7-2-1-6(14-7)5(13)3-4-8(10,11)12;/h1-2,5H,3-4,13H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 308.53 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromofuran-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171219567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).