2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol

C10H9F6NO2 — CID 66515808

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol
SMILESN[C@@H](CO)c1c(O)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H9F6NO2/c11-9(12,13)4-1-5(10(14,15)16)8(6(17)3-18)7(19)2-4/h1-2,6,18-19H,3,17H2/t6-/m0/s1
InChIKeyZDIFZBNTPIUNRD-LURJTMIESA-N
MW289.18 g/mol
LogP2.42
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol

2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol (PubChem CID 66515808) has the molecular formula C10H9F6NO2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol
PubChem CID66515808
Molecular FormulaC10H9F6NO2
Molecular Weight289.18 g/mol
Exact Mass289.05
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol
SMILESN[C@@H](CO)c1c(O)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H9F6NO2/c11-9(12,13)4-1-5(10(14,15)16)8(6(17)3-18)7(19)2-4/h1-2,6,18-19H,3,17H2/t6-/m0/s1
InChIKeyZDIFZBNTPIUNRD-LURJTMIESA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
(4S)-4-amino-4-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171235804
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-5-(trifluoromethyl)phenol
CID 66514812
2-[(1S)-1-amino-2-hydroxyethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259080
2-[(1S)-1-amino-2-hydroxyethyl]-6-chloro-3-(trifluoromethyl)phenol
CID 66515318
(1S)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propan-1-amine
CID 171313374
(1S)-4,4,4-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171235772
2-(1-amino-2-hydroxyethyl)-6-bromo-4-(trifluoromethyl)phenol
CID 77130561
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol (CID 66515808) is 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol is N[C@@H](CO)c1c(O)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol?
The InChIKey is ZDIFZBNTPIUNRD-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F6NO2/c11-9(12,13)4-1-5(10(14,15)16)8(6(17)3-18)7(19)2-4/h1-2,6,18-19H,3,17H2/t6-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol?
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol has a molecular weight of 289.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-bis(trifluoromethyl)phenol is sourced from PubChem (CID 66515808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).