2,3-difluoro-4-(2-fluorobutoxy)phenol

C10H11F3O2 — CID 148965171

IUPAC2,3-difluoro-4-(2-fluorobutoxy)phenol
SMILESCCC(F)COc1ccc(O)c(F)c1F
InChIInChI=1S/C10H11F3O2/c1-2-6(11)5-15-8-4-3-7(14)9(12)10(8)13/h3-4,6,14H,2,5H2,1H3
InChIKeyPSOYYXAGGDFDDN-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.80
Rot. Bonds4

About 2,3-difluoro-4-(2-fluorobutoxy)phenol

2,3-difluoro-4-(2-fluorobutoxy)phenol (PubChem CID 148965171) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-fluorobutoxy)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(2-fluorobutoxy)phenol
PubChem CID148965171
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2,3-difluoro-4-(2-fluorobutoxy)phenol
SMILESCCC(F)COc1ccc(O)c(F)c1F
InChIInChI=1S/C10H11F3O2/c1-2-6(11)5-15-8-4-3-7(14)9(12)10(8)13/h3-4,6,14H,2,5H2,1H3
InChIKeyPSOYYXAGGDFDDN-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-fluorobutoxy)phenol?
The IUPAC name of 2,3-difluoro-4-(2-fluorobutoxy)phenol (CID 148965171) is 2,3-difluoro-4-(2-fluorobutoxy)phenol.
What is the SMILES notation for 2,3-difluoro-4-(2-fluorobutoxy)phenol?
The canonical SMILES for 2,3-difluoro-4-(2-fluorobutoxy)phenol is CCC(F)COc1ccc(O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(2-fluorobutoxy)phenol?
The InChIKey is PSOYYXAGGDFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-2-6(11)5-15-8-4-3-7(14)9(12)10(8)13/h3-4,6,14H,2,5H2,1H3.
What are the key properties of 2,3-difluoro-4-(2-fluorobutoxy)phenol?
2,3-difluoro-4-(2-fluorobutoxy)phenol has a molecular weight of 220.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-fluorobutoxy)phenol is sourced from PubChem (CID 148965171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).