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

C9H10F2O — CID 147438122

IUPAC2,4-difluoro-3-propan-2-ylphenol
SMILESCC(C)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H10F2O/c1-5(2)8-6(10)3-4-7(12)9(8)11/h3-5,12H,1-2H3
InChIKeyDVRJIPASDMYKJU-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.79
Rot. Bonds1

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

2,4-difluoro-3-propan-2-ylphenol (PubChem CID 147438122) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 2,4-difluoro-3-propan-2-ylphenol.

Molecular Properties

Compound Name2,4-difluoro-3-propan-2-ylphenol
PubChem CID147438122
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name2,4-difluoro-3-propan-2-ylphenol
SMILESCC(C)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H10F2O/c1-5(2)8-6(10)3-4-7(12)9(8)11/h3-5,12H,1-2H3
InChIKeyDVRJIPASDMYKJU-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

3,4-difluoro-2-propan-2-ylphenol
CID 130384199
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
2,4-difluorobenzene-1,3-diol
CID 10844515
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
2-fluoro-3-propan-2-ylphenol
CID 71302551
3-fluoro-4-methylsulfinyl-2-propan-2-ylphenol
CID 164811547

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-propan-2-ylphenol?
The IUPAC name of 2,4-difluoro-3-propan-2-ylphenol (CID 147438122) is 2,4-difluoro-3-propan-2-ylphenol.
What is the SMILES notation for 2,4-difluoro-3-propan-2-ylphenol?
The canonical SMILES for 2,4-difluoro-3-propan-2-ylphenol is CC(C)c1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-propan-2-ylphenol?
The InChIKey is DVRJIPASDMYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-5(2)8-6(10)3-4-7(12)9(8)11/h3-5,12H,1-2H3.
What are the key properties of 2,4-difluoro-3-propan-2-ylphenol?
2,4-difluoro-3-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 2,4-difluoro-3-propan-2-ylphenol is sourced from PubChem (CID 147438122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).