1,1-bis(4-fluorophenyl)-N-methoxymethanamine

C14H13F2NO — CID 22485636

IUPAC1,1-bis(4-fluorophenyl)-N-methoxymethanamine
SMILESCONC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2NO/c1-18-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,14,17H,1H3
InChIKeyWAZFUJYCEXDRQB-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.21
Rot. Bonds4

About 1,1-bis(4-fluorophenyl)-N-methoxymethanamine

1,1-bis(4-fluorophenyl)-N-methoxymethanamine (PubChem CID 22485636) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-N-methoxymethanamine
PubChem CID22485636
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1,1-bis(4-fluorophenyl)-N-methoxymethanamine
SMILESCONC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2NO/c1-18-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,14,17H,1H3
InChIKeyWAZFUJYCEXDRQB-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-N-methoxymethanamine?
The IUPAC name of 1,1-bis(4-fluorophenyl)-N-methoxymethanamine (CID 22485636) is 1,1-bis(4-fluorophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-N-methoxymethanamine?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-N-methoxymethanamine is CONC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-N-methoxymethanamine?
The InChIKey is WAZFUJYCEXDRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-18-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,14,17H,1H3.
What are the key properties of 1,1-bis(4-fluorophenyl)-N-methoxymethanamine?
1,1-bis(4-fluorophenyl)-N-methoxymethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-N-methoxymethanamine is sourced from PubChem (CID 22485636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).