2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol

C10H12F3NO2 — CID 64573058

IUPAC2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyYBPQHSAHRHYWLF-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol

2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 64573058) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID64573058
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyYBPQHSAHRHYWLF-UHFFFAOYSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893673
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
chloro (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 142758189
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol (CID 64573058) is 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol is NC(CO)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is YBPQHSAHRHYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)16-9-3-1-7(2-4-9)5-8(14)6-15/h1-4,8,15H,5-6,14H2.
What are the key properties of 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol?
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 235.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 64573058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).