1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C14H16F3NO — CID 114728050

IUPAC1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C14H16F3NO/c1-2-7-18-11(9-14(15,16)17)13-8-10-5-3-4-6-12(10)19-13/h3-6,8,11,18H,2,7,9H2,1H3
InChIKeyZKPAOYFSYZIPTH-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.43
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 114728050) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID114728050
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C14H16F3NO/c1-2-7-18-11(9-14(15,16)17)13-8-10-5-3-4-6-12(10)19-13/h3-6,8,11,18H,2,7,9H2,1H3
InChIKeyZKPAOYFSYZIPTH-UHFFFAOYSA-N
XLogP4.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728053
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
1-(1-benzofuran-2-yl)-2-methoxy-N-propylpentan-1-amine
CID 114731151
1-(1-benzofuran-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114731176
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 114728050) is 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is ZKPAOYFSYZIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-7-18-11(9-14(15,16)17)13-8-10-5-3-4-6-12(10)19-13/h3-6,8,11,18H,2,7,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 271.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114728050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).