(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine

C14H15ClFNO — CID 176569517

IUPAC(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine
SMILESC/C=C(\CNCC)c1coc2c(Cl)ccc(F)c12
InChIInChI=1S/C14H15ClFNO/c1-3-9(7-17-4-2)10-8-18-14-11(15)5-6-12(16)13(10)14/h3,5-6,8,17H,4,7H2,1-2H3/b9-3+
InChIKeyJBGOKYBFRGCZDB-YCRREMRBSA-N
MW267.73 g/mol
LogP4.24
Rot. Bonds4

About (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine

(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine (PubChem CID 176569517) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine
PubChem CID176569517
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine
SMILESC/C=C(\CNCC)c1coc2c(Cl)ccc(F)c12
InChIInChI=1S/C14H15ClFNO/c1-3-9(7-17-4-2)10-8-18-14-11(15)5-6-12(16)13(10)14/h3,5-6,8,17H,4,7H2,1-2H3/b9-3+
InChIKeyJBGOKYBFRGCZDB-YCRREMRBSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine?
The IUPAC name of (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine (CID 176569517) is (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine is C/C=C(\CNCC)c1coc2c(Cl)ccc(F)c12.
What is the InChIKey of (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine?
The InChIKey is JBGOKYBFRGCZDB-YCRREMRBSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-3-9(7-17-4-2)10-8-18-14-11(15)5-6-12(16)13(10)14/h3,5-6,8,17H,4,7H2,1-2H3/b9-3+.
What are the key properties of (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine?
(Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine has a molecular weight of 267.73 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(7-chloro-4-fluoro-1-benzofuran-3-yl)-N-ethylbut-2-en-1-amine is sourced from PubChem (CID 176569517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).