(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol

C16H16F3NO — CID 10685271

IUPAC(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESO[C@H]([C@H](NCc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(21)14(13-9-5-2-6-10-13)20-11-12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15-/m1/s1
InChIKeyNUJFXGRGECQYLC-HUUCEWRRSA-N
MW295.30 g/mol
LogP3.44
Rot. Bonds5

About (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol

(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol (PubChem CID 10685271) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
PubChem CID10685271
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESO[C@H]([C@H](NCc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(21)14(13-9-5-2-6-10-13)20-11-12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15-/m1/s1
InChIKeyNUJFXGRGECQYLC-HUUCEWRRSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
CID 10591998
3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
CID 67427493
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000
1-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol;dihydrochloride
CID 159820539
(2S,3R)-3-(benzylamino)-4,4,4-trifluoro-1-piperidin-1-ylbutan-2-ol
CID 44541164

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The IUPAC name of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol (CID 10685271) is (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol.
What is the SMILES notation for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The canonical SMILES for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol is O[C@H]([C@H](NCc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The InChIKey is NUJFXGRGECQYLC-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)15(21)14(13-9-5-2-6-10-13)20-11-12-7-3-1-4-8-12/h1-10,14-15,20-21H,11H2/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol?
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol has a molecular weight of 295.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol is sourced from PubChem (CID 10685271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).