2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol

C12H17FO — CID 117286474

IUPAC2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)(F)Cc1ccccc1CCO
InChIInChI=1S/C12H17FO/c1-12(2,13)9-11-6-4-3-5-10(11)7-8-14/h3-6,14H,7-9H2,1-2H3
InChIKeyPIEOOWIYAWSJIZ-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol

2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol (PubChem CID 117286474) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
PubChem CID117286474
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)(F)Cc1ccccc1CCO
InChIInChI=1S/C12H17FO/c1-12(2,13)9-11-6-4-3-5-10(11)7-8-14/h3-6,14H,7-9H2,1-2H3
InChIKeyPIEOOWIYAWSJIZ-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol (CID 117286474) is 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol is CC(C)(F)Cc1ccccc1CCO.
What is the InChIKey of 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol?
The InChIKey is PIEOOWIYAWSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-12(2,13)9-11-6-4-3-5-10(11)7-8-14/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol?
2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol has a molecular weight of 196.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 117286474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).