3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine

C14H9F4N3O2 — CID 86582168

IUPAC3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H9F4N3O2/c15-9-2-1-7(5-10(9)23-14(16,17)18)21-12-8-3-4-20-6-11(8)22-13(12)19/h1-6,21H,19H2
InChIKeyYCUJCSINODVYLT-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.19
Rot. Bonds3

About 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine

3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582168) has the molecular formula C14H9F4N3O2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582168
Molecular FormulaC14H9F4N3O2
Molecular Weight327.24 g/mol
Exact Mass327.06
IUPAC Name3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2cnccc2c1Nc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H9F4N3O2/c15-9-2-1-7(5-10(9)23-14(16,17)18)21-12-8-3-4-20-6-11(8)22-13(12)19/h1-6,21H,19H2
InChIKeyYCUJCSINODVYLT-UHFFFAOYSA-N
XLogP4.19
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine (CID 86582168) is 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine is Nc1oc2cnccc2c1Nc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is YCUJCSINODVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3O2/c15-9-2-1-7(5-10(9)23-14(16,17)18)21-12-8-3-4-20-6-11(8)22-13(12)19/h1-6,21H,19H2.
What are the key properties of 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine?
3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 327.24 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-fluoro-3-(trifluoromethoxy)phenyl]furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).