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

C10H12F3NO — CID 50987515

IUPAC2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyPSTGWKXZTJABFG-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.87
Rot. Bonds2

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

2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 50987515) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID50987515
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyPSTGWKXZTJABFG-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 50987515) is 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol is CC(N)(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is PSTGWKXZTJABFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-9(14,6-15)7-3-2-4-8(5-7)10(11,12)13/h2-5,15H,6,14H2,1H3.
What are the key properties of 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 50987515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).