2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol

C10H9F5O — CID 23391432

IUPAC2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol
SMILESCC(F)(F)C(C)(F)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H9F5O/c1-9(13,10(2,14)15)5-3-6(11)8(16)7(12)4-5/h3-4,16H,1-2H3
InChIKeySDFDUEPQNPCCCB-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.51
Rot. Bonds2

About 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol

2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol (PubChem CID 23391432) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol
PubChem CID23391432
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol
SMILESCC(F)(F)C(C)(F)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C10H9F5O/c1-9(13,10(2,14)15)5-3-6(11)8(16)7(12)4-5/h3-4,16H,1-2H3
InChIKeySDFDUEPQNPCCCB-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate
CID 170143455
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
methanol;2,4,6-trifluorophenol
CID 145053745
4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
CID 130042032
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
4-tert-butyl-2-fluorophenol
CID 11062790
5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117303699
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426
tert-butyl 3,5-difluoro-4-hydroxybenzoate
CID 66762061
2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol
CID 158345455
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
3,4,6-trifluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117294409

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol?
The IUPAC name of 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol (CID 23391432) is 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol?
The canonical SMILES for 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol is CC(F)(F)C(C)(F)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol?
The InChIKey is SDFDUEPQNPCCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-9(13,10(2,14)15)5-3-6(11)8(16)7(12)4-5/h3-4,16H,1-2H3.
What are the key properties of 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol?
2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol has a molecular weight of 240.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(2,3,3-trifluorobutan-2-yl)phenol is sourced from PubChem (CID 23391432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).