4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine

C10H15FN2 — CID 20508844

IUPAC4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-10(12)9(11)7-8/h5-7H,3-4,12H2,1-2H3
InChIKeyFRCVYXZZUMRKLP-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.25
Rot. Bonds3

About 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine

4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine (PubChem CID 20508844) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine
PubChem CID20508844
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine
SMILESCCN(CC)c1ccc(N)c(F)c1
InChIInChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-10(12)9(11)7-8/h5-7H,3-4,12H2,1-2H3
InChIKeyFRCVYXZZUMRKLP-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-N,4-N-diethyl-2-fluorobenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine (CID 20508844) is 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine is CCN(CC)c1ccc(N)c(F)c1.
What is the InChIKey of 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine?
The InChIKey is FRCVYXZZUMRKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-13(4-2)8-5-6-10(12)9(11)7-8/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine?
4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine has a molecular weight of 182.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 20508844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).