2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol

C18H18F5NO — CID 22261956

IUPAC2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol
SMILESNC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H18F5NO/c19-14-6-4-13(5-7-14)16(25)15(24)9-11-2-1-3-12(8-11)10-18(22,23)17(20)21/h1-8,15-17,25H,9-10,24H2
InChIKeyNLFGHIRLYMXZEY-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.87
Rot. Bonds7

About 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol

2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol (PubChem CID 22261956) has the molecular formula C18H18F5NO and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol
PubChem CID22261956
Molecular FormulaC18H18F5NO
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol
SMILESNC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H18F5NO/c19-14-6-4-13(5-7-14)16(25)15(24)9-11-2-1-3-12(8-11)10-18(22,23)17(20)21/h1-8,15-17,25H,9-10,24H2
InChIKeyNLFGHIRLYMXZEY-UHFFFAOYSA-N
XLogP3.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)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-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol (CID 22261956) is 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol is NC(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol?
The InChIKey is NLFGHIRLYMXZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5NO/c19-14-6-4-13(5-7-14)16(25)15(24)9-11-2-1-3-12(8-11)10-18(22,23)17(20)21/h1-8,15-17,25H,9-10,24H2.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol?
2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol has a molecular weight of 359.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-[3-(2,2,3,3-tetrafluoropropyl)phenyl]propan-1-ol is sourced from PubChem (CID 22261956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).