3,4-difluoro-2-propan-2-ylphenol

C9H10F2O — CID 130384199

IUPAC3,4-difluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H10F2O/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5,12H,1-2H3
InChIKeyWTFBAZODFFQNNC-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.79
Rot. Bonds1

About 3,4-difluoro-2-propan-2-ylphenol

3,4-difluoro-2-propan-2-ylphenol (PubChem CID 130384199) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 3,4-difluoro-2-propan-2-ylphenol.

Molecular Properties

Compound Name3,4-difluoro-2-propan-2-ylphenol
PubChem CID130384199
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name3,4-difluoro-2-propan-2-ylphenol
SMILESCC(C)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H10F2O/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5,12H,1-2H3
InChIKeyWTFBAZODFFQNNC-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002
3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol
CID 164811547
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
2-ethyl-3,4-difluorophenol
CID 130218632
CID 153135840
CID 153135840

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-propan-2-ylphenol?
The IUPAC name of 3,4-difluoro-2-propan-2-ylphenol (CID 130384199) is 3,4-difluoro-2-propan-2-ylphenol.
What is the SMILES notation for 3,4-difluoro-2-propan-2-ylphenol?
The canonical SMILES for 3,4-difluoro-2-propan-2-ylphenol is CC(C)c1c(O)ccc(F)c1F.
What is the InChIKey of 3,4-difluoro-2-propan-2-ylphenol?
The InChIKey is WTFBAZODFFQNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-5(2)8-7(12)4-3-6(10)9(8)11/h3-5,12H,1-2H3.
What are the key properties of 3,4-difluoro-2-propan-2-ylphenol?
3,4-difluoro-2-propan-2-ylphenol has a molecular weight of 172.17 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-propan-2-ylphenol is sourced from PubChem (CID 130384199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).