1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine

C15H22F2N2O — CID 83027186

IUPAC1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
SMILESCCC1(CC)CC(Nc2cc(F)cc(F)c2N)CCO1
InChIInChI=1S/C15H22F2N2O/c1-3-15(4-2)9-11(5-6-20-15)19-13-8-10(16)7-12(17)14(13)18/h7-8,11,19H,3-6,9,18H2,1-2H3
InChIKeyHEEJHCIZPRWXHE-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.70
Rot. Bonds4

About 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine

1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine (PubChem CID 83027186) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
PubChem CID83027186
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
SMILESCCC1(CC)CC(Nc2cc(F)cc(F)c2N)CCO1
InChIInChI=1S/C15H22F2N2O/c1-3-15(4-2)9-11(5-6-20-15)19-13-8-10(16)7-12(17)14(13)18/h7-8,11,19H,3-6,9,18H2,1-2H3
InChIKeyHEEJHCIZPRWXHE-UHFFFAOYSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
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 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine (CID 83027186) is 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine is CCC1(CC)CC(Nc2cc(F)cc(F)c2N)CCO1.
What is the InChIKey of 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine?
The InChIKey is HEEJHCIZPRWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-15(4-2)9-11(5-6-20-15)19-13-8-10(16)7-12(17)14(13)18/h7-8,11,19H,3-6,9,18H2,1-2H3.
What are the key properties of 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine?
1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine has a molecular weight of 284.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 83027186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).