3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine

C17H15F4N3O — CID 86582320

IUPAC3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine
SMILESCCCc1nccc2c(Nc3ccc(F)c(C(F)(F)F)c3)c(N)oc12
InChIInChI=1S/C17H15F4N3O/c1-2-3-13-15-10(6-7-23-13)14(16(22)25-15)24-9-4-5-12(18)11(8-9)17(19,20)21/h4-8,24H,2-3,22H2,1H3
InChIKeyNCDWXIQRAXAGRM-UHFFFAOYSA-N
MW353.32 g/mol
LogP5.26
Rot. Bonds4

About 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine

3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine (PubChem CID 86582320) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine
PubChem CID86582320
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine
SMILESCCCc1nccc2c(Nc3ccc(F)c(C(F)(F)F)c3)c(N)oc12
InChIInChI=1S/C17H15F4N3O/c1-2-3-13-15-10(6-7-23-13)14(16(22)25-15)24-9-4-5-12(18)11(8-9)17(19,20)21/h4-8,24H,2-3,22H2,1H3
InChIKeyNCDWXIQRAXAGRM-UHFFFAOYSA-N
XLogP5.26
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.32
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine (CID 86582320) is 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine is CCCc1nccc2c(Nc3ccc(F)c(C(F)(F)F)c3)c(N)oc12.
What is the InChIKey of 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine?
The InChIKey is NCDWXIQRAXAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c1-2-3-13-15-10(6-7-23-13)14(16(22)25-15)24-9-4-5-12(18)11(8-9)17(19,20)21/h4-8,24H,2-3,22H2,1H3.
What are the key properties of 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine?
3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine has a molecular weight of 353.32 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-propylfuro[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).