1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine

C10H14F2N2O — CID 61016952

IUPAC1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
SMILESCCOCCNc1c(F)cc(N)cc1F
InChIInChI=1S/C10H14F2N2O/c1-2-15-4-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyZJNKIXZSYKVEFQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.00
Rot. Bonds5

About 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine

1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine (PubChem CID 61016952) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
PubChem CID61016952
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine
SMILESCCOCCNc1c(F)cc(N)cc1F
InChIInChI=1S/C10H14F2N2O/c1-2-15-4-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyZJNKIXZSYKVEFQ-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine (CID 61016952) is 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine is CCOCCNc1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine?
The InChIKey is ZJNKIXZSYKVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-2-15-4-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine?
1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine has a molecular weight of 216.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 61016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).