5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine

C11H15ClFN3 — CID 103553462

IUPAC5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine
SMILESCC1CC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C11H15ClFN3/c1-5-2-6(3-5)16-11-8(15)4-7(14)9(12)10(11)13/h4-6,16H,2-3,14-15H2,1H3
InChIKeyPEBSBACLVDJSIN-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.85
Rot. Bonds2

About 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine

5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine (PubChem CID 103553462) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine
PubChem CID103553462
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine
SMILESCC1CC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C11H15ClFN3/c1-5-2-6(3-5)16-11-8(15)4-7(14)9(12)10(11)13/h4-6,16H,2-3,14-15H2,1H3
InChIKeyPEBSBACLVDJSIN-UHFFFAOYSA-N
XLogP2.85
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine?
The IUPAC name of 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine (CID 103553462) is 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine is CC1CC(Nc2c(N)cc(N)c(Cl)c2F)C1.
What is the InChIKey of 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine?
The InChIKey is PEBSBACLVDJSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-5-2-6(3-5)16-11-8(15)4-7(14)9(12)10(11)13/h4-6,16H,2-3,14-15H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine?
5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine has a molecular weight of 243.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine is sourced from PubChem (CID 103553462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).