1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol

C11H14F3NO2 — CID 130599420

IUPAC1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol
SMILESCC(O)(CNOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(16,11(12,13)14)8-15-17-7-9-5-3-2-4-6-9/h2-6,15-16H,7-8H2,1H3
InChIKeyGCQRIKWUEVGZOK-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.02
Rot. Bonds5

About 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol

1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol (PubChem CID 130599420) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol
PubChem CID130599420
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol
SMILESCC(O)(CNOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-10(16,11(12,13)14)8-15-17-7-9-5-3-2-4-6-9/h2-6,15-16H,7-8H2,1H3
InChIKeyGCQRIKWUEVGZOK-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methoxy-2-methyl-N-phenylmethoxypropan-1-amine
CID 130611916
3,3,3-trifluoro-N-phenylmethoxypropan-1-amine
CID 64974455
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
2,2-difluoro-N-phenylmethoxyethanamine
CID 64974244
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol (CID 130599420) is 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol is CC(O)(CNOCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol?
The InChIKey is GCQRIKWUEVGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-10(16,11(12,13)14)8-15-17-7-9-5-3-2-4-6-9/h2-6,15-16H,7-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol?
1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-(phenylmethoxyamino)propan-2-ol is sourced from PubChem (CID 130599420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).