(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol

C5H10F3NO3 — CID 82722135

IUPAC(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol
SMILESOC[C@@H](O)CNOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3/c6-5(7,8)3-12-9-1-4(11)2-10/h4,9-11H,1-3H2/t4-/m0/s1
InChIKeyHAMQZHDWUQZFBT-BYPYZUCNSA-N
MW189.13 g/mol
LogP-0.58
Rot. Bonds5

About (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol

(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol (PubChem CID 82722135) has the molecular formula C5H10F3NO3 and a molecular weight of 189.13 g/mol. Its IUPAC name is (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol
PubChem CID82722135
Molecular FormulaC5H10F3NO3
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol
SMILESOC[C@@H](O)CNOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3/c6-5(7,8)3-12-9-1-4(11)2-10/h4,9-11H,1-3H2/t4-/m0/s1
InChIKeyHAMQZHDWUQZFBT-BYPYZUCNSA-N
XLogP-0.58
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722387
1-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722599
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721381
2-(2,3-dihydroxypropylamino)oxyacetamide
CID 112673854
1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82723098
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82712606
2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64802406
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82722510
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol (CID 82722135) is (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol is OC[C@@H](O)CNOCC(F)(F)F.
What is the InChIKey of (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol?
The InChIKey is HAMQZHDWUQZFBT-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10F3NO3/c6-5(7,8)3-12-9-1-4(11)2-10/h4,9-11H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol?
(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol has a molecular weight of 189.13 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol is sourced from PubChem (CID 82722135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).