N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine

C11H9ClF3NO — CID 82757959

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C11H9ClF3NO/c12-10-8(5-16-6-11(13,14)15)7-3-1-2-4-9(7)17-10/h1-4,16H,5-6H2
InChIKeyMAJXGCAXOYIHBS-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.74
Rot. Bonds3

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 82757959) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID82757959
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C11H9ClF3NO/c12-10-8(5-16-6-11(13,14)15)7-3-1-2-4-9(7)17-10/h1-4,16H,5-6H2
InChIKeyMAJXGCAXOYIHBS-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529403
N-[(2-chloro-1-benzofuran-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 82705985
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
CID 82705341
3-[(2,2,2-trifluoroethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103235292
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 82757959) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is MAJXGCAXOYIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-10-8(5-16-6-11(13,14)15)7-3-1-2-4-9(7)17-10/h1-4,16H,5-6H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 263.65 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 82757959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).