2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine

C14H18FNO2 — CID 162430129

IUPAC2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2c(c(CCF)c3c1OCC3)OCC2
InChIInChI=1S/C14H18FNO2/c15-5-1-9-11-3-7-18-14(11)10(2-6-16)12-4-8-17-13(9)12/h1-8,16H2
InChIKeyNUNWOBYVOQRPKC-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.57
Rot. Bonds4

About 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine

2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine (PubChem CID 162430129) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine
PubChem CID162430129
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine
SMILESNCCc1c2c(c(CCF)c3c1OCC3)OCC2
InChIInChI=1S/C14H18FNO2/c15-5-1-9-11-3-7-18-14(11)10(2-6-16)12-4-8-17-13(9)12/h1-8,16H2
InChIKeyNUNWOBYVOQRPKC-UHFFFAOYSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine?
The IUPAC name of 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine (CID 162430129) is 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine?
The canonical SMILES for 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine is NCCc1c2c(c(CCF)c3c1OCC3)OCC2.
What is the InChIKey of 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine?
The InChIKey is NUNWOBYVOQRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-5-1-9-11-3-7-18-14(11)10(2-6-16)12-4-8-17-13(9)12/h1-8,16H2.
What are the key properties of 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine?
2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine has a molecular weight of 251.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]ethanamine is sourced from PubChem (CID 162430129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).