1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

C11H14F3NO — CID 78954039

IUPAC1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO/c1-8(9-5-3-2-4-6-9)15-7-10(16)11(12,13)14/h2-6,8,10,15-16H,7H2,1H3/t8-,10?/m1/s1
InChIKeyOERBUQKWFDTHOF-HNHGDDPOSA-N
MW233.23 g/mol
LogP2.26
Rot. Bonds4

About 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 78954039) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID78954039
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3NO/c1-8(9-5-3-2-4-6-9)15-7-10(16)11(12,13)14/h2-6,8,10,15-16H,7H2,1H3/t8-,10?/m1/s1
InChIKeyOERBUQKWFDTHOF-HNHGDDPOSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81381755
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 78954039) is 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is C[C@@H](NCC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is OERBUQKWFDTHOF-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(9-5-3-2-4-6-9)15-7-10(16)11(12,13)14/h2-6,8,10,15-16H,7H2,1H3/t8-,10?/m1/s1.
What are the key properties of 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 78954039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).