(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine

C7H6Br2F3NO — CID 104941070

IUPAC(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2F3NO/c8-3-1-5(14-6(3)9)4(13)2-7(10,11)12/h1,4H,2,13H2/t4-/m1/s1
InChIKeyBWXFHDHUNJIFNC-SCSAIBSYSA-N
MW336.93 g/mol
LogP3.76
Rot. Bonds2

About (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine

(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 104941070) has the molecular formula C7H6Br2F3NO and a molecular weight of 336.93 g/mol. Its IUPAC name is (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID104941070
Molecular FormulaC7H6Br2F3NO
Molecular Weight336.93 g/mol
Exact Mass334.88
IUPAC Name(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2F3NO/c8-3-1-5(14-6(3)9)4(13)2-7(10,11)12/h1,4H,2,13H2/t4-/m1/s1
InChIKeyBWXFHDHUNJIFNC-SCSAIBSYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dibromophenyl)-3,3,3-trifluoropropan-1-amine
CID 103846559
(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
CID 78986249
1-(4,5-dibromofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64565557
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
(1S)-1-(2-bromo-4-chlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171223347
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2,6-dibromophenol;hydrochloride
CID 171219523
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
[5-[(1R)-1-amino-3,3,3-trifluoropropyl]furan-2-yl]methanol;hydrochloride
CID 171211482
3,3-dimethyl-1-(5-methylfuran-2-yl)butan-1-amine;ethane;3,3,3-trifluoro-1-(5-methylfuran-2-yl)propan-1-amine
CID 142810436
1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 65279327

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine (CID 104941070) is (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1cc(Br)c(Br)o1.
What is the InChIKey of (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BWXFHDHUNJIFNC-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H6Br2F3NO/c8-3-1-5(14-6(3)9)4(13)2-7(10,11)12/h1,4H,2,13H2/t4-/m1/s1.
What are the key properties of (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 336.93 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dibromofuran-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 104941070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).