3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine

C10H10F2N4O — CID 106393672

IUPAC3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCc1ncno1
InChIInChI=1S/C10H10F2N4O/c11-6-3-7(12)10(13)8(4-6)14-2-1-9-15-5-16-17-9/h3-5,14H,1-2,13H2
InChIKeyGOCAQHFNPXFGCP-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.58
Rot. Bonds4

About 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine

3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine (PubChem CID 106393672) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
PubChem CID106393672
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCc1ncno1
InChIInChI=1S/C10H10F2N4O/c11-6-3-7(12)10(13)8(4-6)14-2-1-9-15-5-16-17-9/h3-5,14H,1-2,13H2
InChIKeyGOCAQHFNPXFGCP-UHFFFAOYSA-N
XLogP1.58
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-fluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393762
4-bromo-5-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393728
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106414003
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106393855
4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 114271173
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106393641

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine (CID 106393672) is 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine is Nc1c(F)cc(F)cc1NCCc1ncno1.
What is the InChIKey of 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The InChIKey is GOCAQHFNPXFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-6-3-7(12)10(13)8(4-6)14-2-1-9-15-5-16-17-9/h3-5,14H,1-2,13H2.
What are the key properties of 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine has a molecular weight of 240.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106393672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).