1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine

C17H20F2N2O2 — CID 22054823

IUPAC1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine
SMILESCOCOCC(N)C(N)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2O2/c1-22-11-23-10-16(20)17(21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16H,10-11,20-21H2,1H3
InChIKeyOAKOQMHMIWMZGK-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.11
Rot. Bonds7

About 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine

1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine (PubChem CID 22054823) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine
PubChem CID22054823
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine
SMILESCOCOCC(N)C(N)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H20F2N2O2/c1-22-11-23-10-16(20)17(21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16H,10-11,20-21H2,1H3
InChIKeyOAKOQMHMIWMZGK-UHFFFAOYSA-N
XLogP2.11
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine?
The IUPAC name of 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine (CID 22054823) is 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine is COCOCC(N)C(N)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine?
The InChIKey is OAKOQMHMIWMZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-22-11-23-10-16(20)17(21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,16H,10-11,20-21H2,1H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine?
1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine has a molecular weight of 322.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-3-(methoxymethoxy)propane-1,2-diamine is sourced from PubChem (CID 22054823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).