1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C14H15ClF3NO — CID 114728053

IUPAC1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H15ClF3NO/c1-2-6-19-11(8-14(16,17)18)12-7-9-4-3-5-10(15)13(9)20-12/h3-5,7,11,19H,2,6,8H2,1H3
InChIKeyNRFAYQPXUJCONB-UHFFFAOYSA-N
MW305.73 g/mol
LogP5.08
Rot. Bonds5

About 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 114728053) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID114728053
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H15ClF3NO/c1-2-6-19-11(8-14(16,17)18)12-7-9-4-3-5-10(15)13(9)20-12/h3-5,7,11,19H,2,6,8H2,1H3
InChIKeyNRFAYQPXUJCONB-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.73
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
N-[1-(7-chloro-1-benzofuran-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 114728426
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
N-[1-(7-chloro-1-benzofuran-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114728334
1-(7-chloro-1-benzofuran-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 105048645
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
[1-(7-chloro-1-benzofuran-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105249039
1-(7-chloro-1-benzofuran-2-yl)-2-ethoxy-N-propylbutan-1-amine
CID 114731108
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 114728053) is 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is NRFAYQPXUJCONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO/c1-2-6-19-11(8-14(16,17)18)12-7-9-4-3-5-10(15)13(9)20-12/h3-5,7,11,19H,2,6,8H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 305.73 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 114728053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).