(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine

C6H5BrF3NO — CID 130655112

IUPAC(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cocc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyOYWIFVJWGMCYSZ-RXMQYKEDSA-N
MW244.01 g/mol
LogP2.60
Rot. Bonds1

About (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine

(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine (PubChem CID 130655112) has the molecular formula C6H5BrF3NO and a molecular weight of 244.01 g/mol. Its IUPAC name is (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
PubChem CID130655112
Molecular FormulaC6H5BrF3NO
Molecular Weight244.01 g/mol
Exact Mass242.95
IUPAC Name(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1cocc1Br)C(F)(F)F
InChIInChI=1S/C6H5BrF3NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyOYWIFVJWGMCYSZ-RXMQYKEDSA-N
XLogP2.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.01
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
CID 130612590
2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 126971495
(1S)-1-(2-bromo-4,5-difluorophenyl)-2,2,2-trifluoroethanamine
CID 66511938
1-(2-bromo-4-fluorophenyl)-2,2,2-trifluoroethanamine
CID 51358639
(1S)-1-(6-bromo-1,3-benzodioxol-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250775
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
(1R)-1-(2-bromo-5-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240921
3-(1-amino-2,2,2-trifluoroethyl)furan-2-ol
CID 130000157
(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 130648455
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-bromo-5-methylphenol
CID 66512038
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
CID 131123838
2-(1-amino-2,2,2-trifluoroethyl)-5-bromophenol
CID 77127813

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine (CID 130655112) is (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine is N[C@H](c1cocc1Br)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine?
The InChIKey is OYWIFVJWGMCYSZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H5BrF3NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1.
What are the key properties of (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine?
(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine has a molecular weight of 244.01 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130655112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).