2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol

C11H11F6NO — CID 87789027

IUPAC2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6NO/c12-10(13,14)7-1-6(3-9(18)5-19)2-8(4-7)11(15,16)17/h1-2,4,9,19H,3,5,18H2
InChIKeyLCQGMGDJIJMPNK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol

2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 87789027) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
PubChem CID87789027
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6NO/c12-10(13,14)7-1-6(3-9(18)5-19)2-8(4-7)11(15,16)17/h1-2,4,9,19H,3,5,18H2
InChIKeyLCQGMGDJIJMPNK-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol (CID 87789027) is 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol is NC(CO)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is LCQGMGDJIJMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-10(13,14)7-1-6(3-9(18)5-19)2-8(4-7)11(15,16)17/h1-2,4,9,19H,3,5,18H2.
What are the key properties of 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol?
2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 87789027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).