3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol

C11H14F3NO — CID 105492277

IUPAC3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(N)C(C)(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15)10(2,16)8-5-3-4-6-9(8)11(12,13)14/h3-7,16H,15H2,1-2H3
InChIKeyOZRIFOOLXVKUON-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.26
Rot. Bonds2

About 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol

3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 105492277) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID105492277
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(N)C(C)(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15)10(2,16)8-5-3-4-6-9(8)11(12,13)14/h3-7,16H,15H2,1-2H3
InChIKeyOZRIFOOLXVKUON-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322
2-fluoro-3-hydroxy-3-[2-(trifluoromethyl)phenyl]butanoic acid
CID 79366706
4-amino-3-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66099188
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
3-(2-chlorophenyl)-3-fluorobutan-2-amine
CID 105454003
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
1-(methylamino)-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773966

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol (CID 105492277) is 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol is CC(N)C(C)(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is OZRIFOOLXVKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15)10(2,16)8-5-3-4-6-9(8)11(12,13)14/h3-7,16H,15H2,1-2H3.
What are the key properties of 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol?
3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 105492277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).