(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol

C15H22F3NO2 — CID 122585267

IUPAC(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@](CO)(N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-2-3-9-14(11-21,15(16,17)18)19-13(10-20)12-7-5-4-6-8-12/h4-8,13,19-21H,2-3,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyKCOZJVRJXLOVQF-UONOGXRCSA-N
MW305.34 g/mol
LogP2.79
Rot. Bonds8

About (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol

(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol (PubChem CID 122585267) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
PubChem CID122585267
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@](CO)(N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-2-3-9-14(11-21,15(16,17)18)19-13(10-20)12-7-5-4-6-8-12/h4-8,13,19-21H,2-3,9-11H2,1H3/t13-,14+/m0/s1
InChIKeyKCOZJVRJXLOVQF-UONOGXRCSA-N
XLogP2.79
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol (CID 122585267) is (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol is CCCC[C@](CO)(N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is KCOZJVRJXLOVQF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-2-3-9-14(11-21,15(16,17)18)19-13(10-20)12-7-5-4-6-8-12/h4-8,13,19-21H,2-3,9-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol?
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 122585267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).