(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol

C9H10F3NO — CID 40787149

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

About (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 40787149) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID40787149
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESNC[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKeyMQEFMQWFYUHRQY-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

(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
CID 79411718
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 162348022

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol (CID 40787149) is (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol is NC[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MQEFMQWFYUHRQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol?
(1S)-2-amino-1-[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 (1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 40787149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).