4-(2,4-difluorophenoxy)-2-methylbutan-2-ol

C11H14F2O2 — CID 79360243

IUPAC4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-11(2,14)5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRTIYUZJRDGTEAA-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.50
Rot. Bonds4

About 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol

4-(2,4-difluorophenoxy)-2-methylbutan-2-ol (PubChem CID 79360243) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
PubChem CID79360243
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(F)cc1F
InChIInChI=1S/C11H14F2O2/c1-11(2,14)5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRTIYUZJRDGTEAA-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
CID 64803671
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
CID 89282398
CID 89282398
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
4-tert-butyl-N-[2-(2,4-difluorophenoxy)ethyl]benzamide
CID 113102340
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol (CID 79360243) is 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol is CC(C)(O)CCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol?
The InChIKey is RTIYUZJRDGTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-11(2,14)5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol?
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 79360243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).