1-(trifluoromethylamino)ethanol

C3H6F3NO — CID 154201971

IUPAC1-(trifluoromethylamino)ethanol
SMILESCC(O)NC(F)(F)F
InChIInChI=1S/C3H6F3NO/c1-2(8)7-3(4,5)6/h2,7-8H,1H3
InChIKeyYCXAXOMWCDZWBA-UHFFFAOYSA-N
MW129.08 g/mol
LogP0.43
Rot. Bonds1

About 1-(trifluoromethylamino)ethanol

1-(trifluoromethylamino)ethanol (PubChem CID 154201971) has the molecular formula C3H6F3NO and a molecular weight of 129.08 g/mol. Its IUPAC name is 1-(trifluoromethylamino)ethanol.

Molecular Properties

Compound Name1-(trifluoromethylamino)ethanol
PubChem CID154201971
Molecular FormulaC3H6F3NO
Molecular Weight129.08 g/mol
Exact Mass129.04
IUPAC Name1-(trifluoromethylamino)ethanol
SMILESCC(O)NC(F)(F)F
InChIInChI=1S/C3H6F3NO/c1-2(8)7-3(4,5)6/h2,7-8H,1H3
InChIKeyYCXAXOMWCDZWBA-UHFFFAOYSA-N
XLogP0.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

azane;1,1,1-trifluoropropan-2-ol
CID 172812336
2-(1-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 57265452
1-amino-1-(1-hydroxyethylamino)ethanol
CID 57311294
1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
CID 166858336
3-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
CID 115922978
1-(sulfanylamino)ethanol
CID 57315702
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
CID 146550154
CID 58943019
CID 58943019
azane;propan-2-ol;hydrochloride
CID 88500405
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylamino)ethanol?
The IUPAC name of 1-(trifluoromethylamino)ethanol (CID 154201971) is 1-(trifluoromethylamino)ethanol.
What is the SMILES notation for 1-(trifluoromethylamino)ethanol?
The canonical SMILES for 1-(trifluoromethylamino)ethanol is CC(O)NC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylamino)ethanol?
The InChIKey is YCXAXOMWCDZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO/c1-2(8)7-3(4,5)6/h2,7-8H,1H3.
What are the key properties of 1-(trifluoromethylamino)ethanol?
1-(trifluoromethylamino)ethanol has a molecular weight of 129.08 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylamino)ethanol is sourced from PubChem (CID 154201971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).