(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol

C10H9F6NO — CID 66515831

IUPAC(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-2-1-3-6(10(14,15)16)8(5)7(17)4-18/h1-3,7,18H,4,17H2/t7-/m1/s1
InChIKeyBSESWRGFUNQIBF-SSDOTTSWSA-N
MW273.18 g/mol
LogP2.72
Rot. Bonds2

About (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol

(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol (PubChem CID 66515831) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
PubChem CID66515831
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-2-1-3-6(10(14,15)16)8(5)7(17)4-18/h1-3,7,18H,4,17H2/t7-/m1/s1
InChIKeyBSESWRGFUNQIBF-SSDOTTSWSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-[(1S)-1-amino-2-hydroxyethyl]-6-chloro-3-(trifluoromethyl)phenol
CID 66515318
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
2-[(1S)-1-amino-2-hydroxyethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259080
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
2-amino-2-[2-(2-fluoropropan-2-yl)phenyl]ethanol
CID 84667706
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 84711051
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol (CID 66515831) is (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol is N[C@H](CO)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol?
The InChIKey is BSESWRGFUNQIBF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-9(12,13)5-2-1-3-6(10(14,15)16)8(5)7(17)4-18/h1-3,7,18H,4,17H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol?
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol has a molecular weight of 273.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66515831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).