2-amino-2-(4-fluorophenyl)propan-1-ol

C9H12FNO — CID 45032289

IUPAC2-amino-2-(4-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3
InChIKeyWJUJJENEORVCQQ-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.99
Rot. Bonds2

About 2-amino-2-(4-fluorophenyl)propan-1-ol

2-amino-2-(4-fluorophenyl)propan-1-ol (PubChem CID 45032289) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)propan-1-ol
PubChem CID45032289
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-amino-2-(4-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3
InChIKeyWJUJJENEORVCQQ-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(4-fluorophenyl)propan-1-ol (CID 45032289) is 2-amino-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)propan-1-ol is CC(N)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is WJUJJENEORVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(11,6-12)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3.
What are the key properties of 2-amino-2-(4-fluorophenyl)propan-1-ol?
2-amino-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 45032289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).