2,2-difluoro-N-phenylmethoxyethanamine

C9H11F2NO — CID 64974244

IUPAC2,2-difluoro-N-phenylmethoxyethanamine
SMILESFC(F)CNOCc1ccccc1
InChIInChI=1S/C9H11F2NO/c10-9(11)6-12-13-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyCUSBCFHBLZISLU-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.97
Rot. Bonds5

About 2,2-difluoro-N-phenylmethoxyethanamine

2,2-difluoro-N-phenylmethoxyethanamine (PubChem CID 64974244) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,2-difluoro-N-phenylmethoxyethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-phenylmethoxyethanamine
PubChem CID64974244
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2,2-difluoro-N-phenylmethoxyethanamine
SMILESFC(F)CNOCc1ccccc1
InChIInChI=1S/C9H11F2NO/c10-9(11)6-12-13-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyCUSBCFHBLZISLU-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2-(phenylmethoxyamino)ethanol
CID 64974573
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
CID 64974455
2-fluorobutoxymethylbenzene
CID 121368179
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 64974574
4-bromo-N-phenylmethoxybutan-1-amine
CID 71377323
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
2,3-difluoropropoxymethylbenzene
CID 86233522
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-phenylmethoxyethanamine?
The IUPAC name of 2,2-difluoro-N-phenylmethoxyethanamine (CID 64974244) is 2,2-difluoro-N-phenylmethoxyethanamine.
What is the SMILES notation for 2,2-difluoro-N-phenylmethoxyethanamine?
The canonical SMILES for 2,2-difluoro-N-phenylmethoxyethanamine is FC(F)CNOCc1ccccc1.
What is the InChIKey of 2,2-difluoro-N-phenylmethoxyethanamine?
The InChIKey is CUSBCFHBLZISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)6-12-13-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2.
What are the key properties of 2,2-difluoro-N-phenylmethoxyethanamine?
2,2-difluoro-N-phenylmethoxyethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-phenylmethoxyethanamine is sourced from PubChem (CID 64974244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).