3-fluorobenzene-1,2,4-triamine

C6H8FN3 — CID 89010456

IUPAC3-fluorobenzene-1,2,4-triamine
SMILESNc1ccc(N)c(F)c1N
InChIInChI=1S/C6H8FN3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,8-10H2
InChIKeyFYDDXNPPTXEIGE-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.57
Rot. Bonds

About 3-fluorobenzene-1,2,4-triamine

3-fluorobenzene-1,2,4-triamine (PubChem CID 89010456) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is 3-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name3-fluorobenzene-1,2,4-triamine
PubChem CID89010456
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name3-fluorobenzene-1,2,4-triamine
SMILESNc1ccc(N)c(F)c1N
InChIInChI=1S/C6H8FN3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,8-10H2
InChIKeyFYDDXNPPTXEIGE-UHFFFAOYSA-N
XLogP0.57
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluorobenzene-1,2-diamine
CID 2736753
4-cyclopropyl-3-fluorobenzene-1,2-diamine
CID 174232109
3-fluoro-4-propan-2-ylsulfanylbenzene-1,2-diamine
CID 164657667
2,3-difluoro-4-methylaniline;ethane
CID 145013768
2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol
CID 164594407
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
methyl 2,4-diamino-3-fluorobenzoate
CID 171030777
3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
CID 155858641
2,3-difluoro-4-(trifluoromethyl)aniline
CID 2735902
3-chloro-2-fluoro-4-iodoaniline
CID 129201790
4-fluoro-2-methyl-1H-indol-5-amine
CID 44558426
sodium;4-amino-2,3-difluorophenol;2,3-difluorobenzene-1,4-diol;nitrite;hydrochloride
CID 162129651

Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzene-1,2,4-triamine?
The IUPAC name of 3-fluorobenzene-1,2,4-triamine (CID 89010456) is 3-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 3-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 3-fluorobenzene-1,2,4-triamine is Nc1ccc(N)c(F)c1N.
What is the InChIKey of 3-fluorobenzene-1,2,4-triamine?
The InChIKey is FYDDXNPPTXEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,8-10H2.
What are the key properties of 3-fluorobenzene-1,2,4-triamine?
3-fluorobenzene-1,2,4-triamine has a molecular weight of 141.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 89010456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).