3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine

C11H9F4NO — CID 114728036

IUPAC3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H9F4NO/c12-7-3-1-2-6-4-9(17-10(6)7)8(16)5-11(13,14)15/h1-4,8H,5,16H2
InChIKeyJAEZIWSRLPPGRW-UHFFFAOYSA-N
MW247.19 g/mol
LogP3.52
Rot. Bonds2

About 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine

3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (PubChem CID 114728036) has the molecular formula C11H9F4NO and a molecular weight of 247.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
PubChem CID114728036
Molecular FormulaC11H9F4NO
Molecular Weight247.19 g/mol
Exact Mass247.06
IUPAC Name3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H9F4NO/c12-7-3-1-2-6-4-9(17-10(6)7)8(16)5-11(13,14)15/h1-4,8H,5,16H2
InChIKeyJAEZIWSRLPPGRW-UHFFFAOYSA-N
XLogP3.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 103544181
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
1-(7-fluoro-1-benzofuran-2-yl)-3-pyridin-2-ylpropan-1-amine
CID 105186531
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine (CID 114728036) is 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine is NC(CC(F)(F)F)c1cc2cccc(F)c2o1.
What is the InChIKey of 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is JAEZIWSRLPPGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO/c12-7-3-1-2-6-4-9(17-10(6)7)8(16)5-11(13,14)15/h1-4,8H,5,16H2.
What are the key properties of 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine?
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 247.19 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 114728036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).