(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine

C12H12FNO — CID 59029534

IUPAC(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)Cc1coc2ccccc12
InChIInChI=1S/C12H12FNO/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,6,8H,5,7,14H2/b9-6-
InChIKeyDCDKNPPYBAAZLS-TWGQIWQCSA-N
MW205.23 g/mol
LogP2.79
Rot. Bonds3

About (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine

(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine (PubChem CID 59029534) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine
PubChem CID59029534
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)Cc1coc2ccccc12
InChIInChI=1S/C12H12FNO/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,6,8H,5,7,14H2/b9-6-
InChIKeyDCDKNPPYBAAZLS-TWGQIWQCSA-N
XLogP2.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine (CID 59029534) is (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine is NC/C(=C\F)Cc1coc2ccccc12.
What is the InChIKey of (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine?
The InChIKey is DCDKNPPYBAAZLS-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H12FNO/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,6,8H,5,7,14H2/b9-6-.
What are the key properties of (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine?
(Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine has a molecular weight of 205.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-benzofuran-3-ylmethyl)-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 59029534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).