4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol

C10H12F3NO2 — CID 131872319

IUPAC4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
SMILESN[C@@H](CCO)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-5-6(16)1-2-7(8)9(14)3-4-15/h1-2,5,9,15-16H,3-4,14H2/t9-/m0/s1
InChIKeyMVIFDLKYFGUSNZ-VIFPVBQESA-N
MW235.20 g/mol
LogP1.79
Rot. Bonds3

About 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol

4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol (PubChem CID 131872319) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
PubChem CID131872319
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
SMILESN[C@@H](CCO)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-5-6(16)1-2-7(8)9(14)3-4-15/h1-2,5,9,15-16H,3-4,14H2/t9-/m0/s1
InChIKeyMVIFDLKYFGUSNZ-VIFPVBQESA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 170874623
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
(3S)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171228457
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
CID 84673833
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84807568

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol?
The IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol (CID 131872319) is 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol is N[C@@H](CCO)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol?
The InChIKey is MVIFDLKYFGUSNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)8-5-6(16)1-2-7(8)9(14)3-4-15/h1-2,5,9,15-16H,3-4,14H2/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol?
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol has a molecular weight of 235.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 131872319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).