(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol

C9H10F3NO — CID 66514163

IUPAC(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKeyOIRSHTSIVLNGMS-MRVPVSSYSA-N
MW205.18 g/mol
LogP1.70
Rot. Bonds2

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

(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 66514163) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID66514163
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKeyOIRSHTSIVLNGMS-MRVPVSSYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
2-amino-2-[2-(2-fluoropropan-2-yl)phenyl]ethanol
CID 84667706
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
3-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525319
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(1S)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171226257
(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206682
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol (CID 66514163) is (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol is N[C@H](CO)c1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OIRSHTSIVLNGMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol?
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.70, 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-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 66514163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).