1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine

C8H8ClF2NO — CID 90019297

IUPAC1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine
SMILESFC(F)ONCc1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-4,8,12H,5H2
InChIKeyUZCSOVRBPMNTPI-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine

1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine (PubChem CID 90019297) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine
PubChem CID90019297
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine
SMILESFC(F)ONCc1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-4,8,12H,5H2
InChIKeyUZCSOVRBPMNTPI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.58
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-(2-chlorophenyl)-N-(difluoromethoxy)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine (CID 90019297) is 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine is FC(F)ONCc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine?
The InChIKey is UZCSOVRBPMNTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-4,8,12H,5H2.
What are the key properties of 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine?
1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine has a molecular weight of 207.61 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(difluoromethoxy)methanamine is sourced from PubChem (CID 90019297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).