2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol

C10H12ClFO — CID 117291187

IUPAC2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-10(2,6-13)7-3-8(11)5-9(12)4-7/h3-5,13H,6H2,1-2H3
InChIKeyQJNJGDJNBHATTI-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol

2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 117291187) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol
PubChem CID117291187
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-10(2,6-13)7-3-8(11)5-9(12)4-7/h3-5,13H,6H2,1-2H3
InChIKeyQJNJGDJNBHATTI-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-5-fluorophenyl)-2-methylpropan-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-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol (CID 117291187) is 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is QJNJGDJNBHATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-10(2,6-13)7-3-8(11)5-9(12)4-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol?
2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 202.66 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117291187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).