3-chlorofuran-2,4-diamine

C4H5ClN2O — CID 69333645

IUPAC3-chlorofuran-2,4-diamine
SMILESNc1coc(N)c1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-2(6)1-8-4(3)7/h1H,6-7H2
InChIKeyBOHYBLLWBWHKHY-UHFFFAOYSA-N
MW132.55 g/mol
LogP1.10
Rot. Bonds

About 3-chlorofuran-2,4-diamine

3-chlorofuran-2,4-diamine (PubChem CID 69333645) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is 3-chlorofuran-2,4-diamine.

Molecular Properties

Compound Name3-chlorofuran-2,4-diamine
PubChem CID69333645
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name3-chlorofuran-2,4-diamine
SMILESNc1coc(N)c1Cl
InChIInChI=1S/C4H5ClN2O/c5-3-2(6)1-8-4(3)7/h1H,6-7H2
InChIKeyBOHYBLLWBWHKHY-UHFFFAOYSA-N
XLogP1.10
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chlorofuran-2,4-diamine?
The IUPAC name of 3-chlorofuran-2,4-diamine (CID 69333645) is 3-chlorofuran-2,4-diamine.
What is the SMILES notation for 3-chlorofuran-2,4-diamine?
The canonical SMILES for 3-chlorofuran-2,4-diamine is Nc1coc(N)c1Cl.
What is the InChIKey of 3-chlorofuran-2,4-diamine?
The InChIKey is BOHYBLLWBWHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O/c5-3-2(6)1-8-4(3)7/h1H,6-7H2.
What are the key properties of 3-chlorofuran-2,4-diamine?
3-chlorofuran-2,4-diamine has a molecular weight of 132.55 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorofuran-2,4-diamine is sourced from PubChem (CID 69333645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).