4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine

C8H10ClFN2 — CID 59177249

IUPAC4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine
SMILESCCNc1cc(Cl)c(F)cc1N
InChIInChI=1S/C8H10ClFN2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,12H,2,11H2,1H3
InChIKeyZWZFXKBJPWMAGF-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine

4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine (PubChem CID 59177249) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine
PubChem CID59177249
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine
SMILESCCNc1cc(Cl)c(F)cc1N
InChIInChI=1S/C8H10ClFN2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,12H,2,11H2,1H3
InChIKeyZWZFXKBJPWMAGF-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine (CID 59177249) is 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine is CCNc1cc(Cl)c(F)cc1N.
What is the InChIKey of 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine?
The InChIKey is ZWZFXKBJPWMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-2-12-8-3-5(9)6(10)4-7(8)11/h3-4,12H,2,11H2,1H3.
What are the key properties of 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine?
4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine has a molecular weight of 188.63 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 59177249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).