1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol

C11H14F3NO — CID 60689484

IUPAC1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
SMILESOC(CNCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-7-15-8-10(16)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2
InChIKeyWLGGGHXSYAIDNI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.26
Rot. Bonds5

About 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol

1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol (PubChem CID 60689484) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
PubChem CID60689484
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
SMILESOC(CNCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)6-7-15-8-10(16)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2
InChIKeyWLGGGHXSYAIDNI-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol?
The IUPAC name of 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol (CID 60689484) is 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol is OC(CNCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol?
The InChIKey is WLGGGHXSYAIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)6-7-15-8-10(16)9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2.
What are the key properties of 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol?
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol has a molecular weight of 233.23 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol is sourced from PubChem (CID 60689484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).