1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine

C13H15ClFNO — CID 65439271

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H15ClFNO/c1-3-11(16-4-2)12-6-8-5-9(15)7-10(14)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3
InChIKeyQCLSGUXBIUPNEG-UHFFFAOYSA-N
MW255.72 g/mol
LogP4.29
Rot. Bonds4

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine (PubChem CID 65439271) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
PubChem CID65439271
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H15ClFNO/c1-3-11(16-4-2)12-6-8-5-9(15)7-10(14)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3
InChIKeyQCLSGUXBIUPNEG-UHFFFAOYSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine (CID 65439271) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine is CCNC(CC)c1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
The InChIKey is QCLSGUXBIUPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-3-11(16-4-2)12-6-8-5-9(15)7-10(14)13(8)17-12/h5-7,11,16H,3-4H2,1-2H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine has a molecular weight of 255.72 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 65439271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).