(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine

C11H10FNO — CID 117282194

IUPAC(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESNC/C=C/c1c(F)ccc2occc12
InChIInChI=1S/C11H10FNO/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h1-5,7H,6,13H2/b2-1+
InChIKeyNOLVNBRMVZAOFY-OWOJBTEDSA-N
MW191.20 g/mol
LogP2.54
Rot. Bonds2

About (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine

(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine (PubChem CID 117282194) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine
PubChem CID117282194
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine
SMILESNC/C=C/c1c(F)ccc2occc12
InChIInChI=1S/C11H10FNO/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h1-5,7H,6,13H2/b2-1+
InChIKeyNOLVNBRMVZAOFY-OWOJBTEDSA-N
XLogP2.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine (CID 117282194) is (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine is NC/C=C/c1c(F)ccc2occc12.
What is the InChIKey of (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine?
The InChIKey is NOLVNBRMVZAOFY-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H10FNO/c12-10-3-4-11-9(5-7-14-11)8(10)2-1-6-13/h1-5,7H,6,13H2/b2-1+.
What are the key properties of (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine?
(E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-1-benzofuran-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 117282194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).