3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol

C11H16FNO — CID 79138227

IUPAC3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3
InChIKeyJOSLTUOZNIRKSY-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.84
Rot. Bonds3

About 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol

3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 79138227) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID79138227
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3
InChIKeyJOSLTUOZNIRKSY-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol (CID 79138227) is 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CN)C(O)c1ccccc1F.
What is the InChIKey of 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is JOSLTUOZNIRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10,14H,7,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol?
3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79138227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).