N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine

C7H7Br2F2NO — CID 115406141

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)c(Br)o1
InChIInChI=1S/C7H7Br2F2NO/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyUYAFWUKVBMFFQA-UHFFFAOYSA-N
MW318.94 g/mol
LogP3.16
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115406141) has the molecular formula C7H7Br2F2NO and a molecular weight of 318.94 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID115406141
Molecular FormulaC7H7Br2F2NO
Molecular Weight318.94 g/mol
Exact Mass316.89
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CNCc1cc(Br)c(Br)o1
InChIInChI=1S/C7H7Br2F2NO/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2
InChIKeyUYAFWUKVBMFFQA-UHFFFAOYSA-N
XLogP3.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.94
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
CID 62084106
N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 62086078
N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62085345
N-[(4,5-dibromofuran-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62604246
N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
CID 63982243
2-[(4,5-dibromofuran-2-yl)methylamino]acetamide
CID 62083921
N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81171216
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
CID 62084803
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
4-[(4,5-dibromofuran-2-yl)methylamino]butanoic acid
CID 62083449
4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
CID 62085887

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine (CID 115406141) is N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine is FC(F)CNCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is UYAFWUKVBMFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2F2NO/c8-5-1-4(13-7(5)9)2-12-3-6(10)11/h1,6,12H,2-3H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 318.94 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).