2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol

C8H8F3NO — CID 66510923

IUPAC2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
SMILESN[C@@H](c1ccccc1O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-3-1-2-4-6(5)13/h1-4,7,13H,12H2/t7-/m0/s1
InChIKeyCAJCNRNFQRHXOB-ZETCQYMHSA-N
MW191.15 g/mol
LogP1.95
Rot. Bonds1

About 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol

2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol (PubChem CID 66510923) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
PubChem CID66510923
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
SMILESN[C@@H](c1ccccc1O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-3-1-2-4-6(5)13/h1-4,7,13H,12H2/t7-/m0/s1
InChIKeyCAJCNRNFQRHXOB-ZETCQYMHSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
2-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273211
2-[(1R)-1-amino-2,2,2-trifluoroethyl]benzene-1,4-diol
CID 66510904
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-fluorophenol
CID 66511072
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzene-1,3-diol
CID 66510899
4-(1-amino-2,2,2-trifluoroethyl)benzene-1,2,3-triol
CID 130059147
2-(1-amino-2,2,2-trifluoroethyl)-5-bromophenol
CID 77127813
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol?
The IUPAC name of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol (CID 66510923) is 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol.
What is the SMILES notation for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol?
The canonical SMILES for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol is N[C@@H](c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol?
The InChIKey is CAJCNRNFQRHXOB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-3-1-2-4-6(5)13/h1-4,7,13H,12H2/t7-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol?
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol has a molecular weight of 191.15 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol is sourced from PubChem (CID 66510923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).