3-(trifluoromethyl)furan-2,5-diamine

C5H5F3N2O — CID 69334793

IUPAC3-(trifluoromethyl)furan-2,5-diamine
SMILESNc1cc(C(F)(F)F)c(N)o1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-1-3(9)11-4(2)10/h1H,9-10H2
InChIKeyFUHCHRYBLUNNNZ-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.46
Rot. Bonds

About 3-(trifluoromethyl)furan-2,5-diamine

3-(trifluoromethyl)furan-2,5-diamine (PubChem CID 69334793) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 3-(trifluoromethyl)furan-2,5-diamine.

Molecular Properties

Compound Name3-(trifluoromethyl)furan-2,5-diamine
PubChem CID69334793
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name3-(trifluoromethyl)furan-2,5-diamine
SMILESNc1cc(C(F)(F)F)c(N)o1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)2-1-3(9)11-4(2)10/h1H,9-10H2
InChIKeyFUHCHRYBLUNNNZ-UHFFFAOYSA-N
XLogP1.46
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)furan-2,5-diamine?
The IUPAC name of 3-(trifluoromethyl)furan-2,5-diamine (CID 69334793) is 3-(trifluoromethyl)furan-2,5-diamine.
What is the SMILES notation for 3-(trifluoromethyl)furan-2,5-diamine?
The canonical SMILES for 3-(trifluoromethyl)furan-2,5-diamine is Nc1cc(C(F)(F)F)c(N)o1.
What is the InChIKey of 3-(trifluoromethyl)furan-2,5-diamine?
The InChIKey is FUHCHRYBLUNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)2-1-3(9)11-4(2)10/h1H,9-10H2.
What are the key properties of 3-(trifluoromethyl)furan-2,5-diamine?
3-(trifluoromethyl)furan-2,5-diamine has a molecular weight of 166.10 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)furan-2,5-diamine is sourced from PubChem (CID 69334793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).