3-fluorofuran-2,5-diamine

C4H5FN2O — CID 69333911

IUPAC3-fluorofuran-2,5-diamine
SMILESNc1cc(F)c(N)o1
InChIInChI=1S/C4H5FN2O/c5-2-1-3(6)8-4(2)7/h1H,6-7H2
InChIKeyHOJXSMJCGAGCMW-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.58
Rot. Bonds

About 3-fluorofuran-2,5-diamine

3-fluorofuran-2,5-diamine (PubChem CID 69333911) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 3-fluorofuran-2,5-diamine.

Molecular Properties

Compound Name3-fluorofuran-2,5-diamine
PubChem CID69333911
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name3-fluorofuran-2,5-diamine
SMILESNc1cc(F)c(N)o1
InChIInChI=1S/C4H5FN2O/c5-2-1-3(6)8-4(2)7/h1H,6-7H2
InChIKeyHOJXSMJCGAGCMW-UHFFFAOYSA-N
XLogP0.58
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluorofuran-2,5-diamine?
The IUPAC name of 3-fluorofuran-2,5-diamine (CID 69333911) is 3-fluorofuran-2,5-diamine.
What is the SMILES notation for 3-fluorofuran-2,5-diamine?
The canonical SMILES for 3-fluorofuran-2,5-diamine is Nc1cc(F)c(N)o1.
What is the InChIKey of 3-fluorofuran-2,5-diamine?
The InChIKey is HOJXSMJCGAGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-2-1-3(6)8-4(2)7/h1H,6-7H2.
What are the key properties of 3-fluorofuran-2,5-diamine?
3-fluorofuran-2,5-diamine has a molecular weight of 116.09 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorofuran-2,5-diamine is sourced from PubChem (CID 69333911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).