5-chlorofuran-3-amine

C4H4ClNO — CID 69334580

IUPAC5-chlorofuran-3-amine
SMILESNc1coc(Cl)c1
InChIInChI=1S/C4H4ClNO/c5-4-1-3(6)2-7-4/h1-2H,6H2
InChIKeyPQTPKYHVXOLYJE-UHFFFAOYSA-N
MW117.53 g/mol
LogP1.52
Rot. Bonds

About 5-chlorofuran-3-amine

5-chlorofuran-3-amine (PubChem CID 69334580) has the molecular formula C4H4ClNO and a molecular weight of 117.53 g/mol. Its IUPAC name is 5-chlorofuran-3-amine.

Molecular Properties

Compound Name5-chlorofuran-3-amine
PubChem CID69334580
Molecular FormulaC4H4ClNO
Molecular Weight117.53 g/mol
Exact Mass117.00
IUPAC Name5-chlorofuran-3-amine
SMILESNc1coc(Cl)c1
InChIInChI=1S/C4H4ClNO/c5-4-1-3(6)2-7-4/h1-2H,6H2
InChIKeyPQTPKYHVXOLYJE-UHFFFAOYSA-N
XLogP1.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chlorofuran-3-amine?
The IUPAC name of 5-chlorofuran-3-amine (CID 69334580) is 5-chlorofuran-3-amine.
What is the SMILES notation for 5-chlorofuran-3-amine?
The canonical SMILES for 5-chlorofuran-3-amine is Nc1coc(Cl)c1.
What is the InChIKey of 5-chlorofuran-3-amine?
The InChIKey is PQTPKYHVXOLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO/c5-4-1-3(6)2-7-4/h1-2H,6H2.
What are the key properties of 5-chlorofuran-3-amine?
5-chlorofuran-3-amine has a molecular weight of 117.53 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorofuran-3-amine is sourced from PubChem (CID 69334580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).