1-(4-fluorophenyl)-2-methylpropan-2-ol

C10H13FO — CID 520425

IUPAC1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyDWRIANGNJXQAAT-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-fluorophenyl)-2-methylpropan-2-ol

1-(4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 520425) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID520425
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyDWRIANGNJXQAAT-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-2-methylpropan-2-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 1-(4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-methylpropan-2-ol (CID 520425) is 1-(4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is DWRIANGNJXQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methylpropan-2-ol?
1-(4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 168.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 520425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).