1-N-ethyl-2,6-difluorobenzene-1,4-diamine

C8H10F2N2 — CID 61016855

IUPAC1-N-ethyl-2,6-difluorobenzene-1,4-diamine
SMILESCCNc1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2,11H2,1H3
InChIKeyATOQUYBHNWHEMM-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.98
Rot. Bonds2

About 1-N-ethyl-2,6-difluorobenzene-1,4-diamine

1-N-ethyl-2,6-difluorobenzene-1,4-diamine (PubChem CID 61016855) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-N-ethyl-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,6-difluorobenzene-1,4-diamine
PubChem CID61016855
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-N-ethyl-2,6-difluorobenzene-1,4-diamine
SMILESCCNc1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2,11H2,1H3
InChIKeyATOQUYBHNWHEMM-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.98
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 1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2,6-difluorobenzene-1,4-diamine (CID 61016855) is 1-N-ethyl-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2,6-difluorobenzene-1,4-diamine is CCNc1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
The InChIKey is ATOQUYBHNWHEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2,11H2,1H3.
What are the key properties of 1-N-ethyl-2,6-difluorobenzene-1,4-diamine?
1-N-ethyl-2,6-difluorobenzene-1,4-diamine has a molecular weight of 172.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 61016855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).