3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine

C15H12F3N3O — CID 118894404

IUPAC3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESCC(F)(F)c1cc(Nc2c(N)oc3cnccc23)ccc1F
InChIInChI=1S/C15H12F3N3O/c1-15(17,18)10-6-8(2-3-11(10)16)21-13-9-4-5-20-7-12(9)22-14(13)19/h2-7,21H,19H2,1H3
InChIKeyHFJZNAWSZWTHLE-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.40
Rot. Bonds3

About 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine

3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118894404) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine
PubChem CID118894404
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine
SMILESCC(F)(F)c1cc(Nc2c(N)oc3cnccc23)ccc1F
InChIInChI=1S/C15H12F3N3O/c1-15(17,18)10-6-8(2-3-11(10)16)21-13-9-4-5-20-7-12(9)22-14(13)19/h2-7,21H,19H2,1H3
InChIKeyHFJZNAWSZWTHLE-UHFFFAOYSA-N
XLogP4.40
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine (CID 118894404) is 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine is CC(F)(F)c1cc(Nc2c(N)oc3cnccc23)ccc1F.
What is the InChIKey of 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is HFJZNAWSZWTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-15(17,18)10-6-8(2-3-11(10)16)21-13-9-4-5-20-7-12(9)22-14(13)19/h2-7,21H,19H2,1H3.
What are the key properties of 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine?
3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 307.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118894404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).