2-(3,3-difluorocyclobutyl)phenol

C10H10F2O — CID 115016625

IUPAC2-(3,3-difluorocyclobutyl)phenol
SMILESOc1ccccc1C1CC(F)(F)C1
InChIInChI=1S/C10H10F2O/c11-10(12)5-7(6-10)8-3-1-2-4-9(8)13/h1-4,7,13H,5-6H2
InChIKeyXJXHBJNRESJMLG-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.90
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)phenol

2-(3,3-difluorocyclobutyl)phenol (PubChem CID 115016625) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)phenol.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)phenol
PubChem CID115016625
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-(3,3-difluorocyclobutyl)phenol
SMILESOc1ccccc1C1CC(F)(F)C1
InChIInChI=1S/C10H10F2O/c11-10(12)5-7(6-10)8-3-1-2-4-9(8)13/h1-4,7,13H,5-6H2
InChIKeyXJXHBJNRESJMLG-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorocyclobutyl)phenol
CID 115013138
2-cyclododecylphenol
CID 22381643
2-(2,2-difluorocyclobutyl)phenol
CID 115016628
3-(2,2-difluorocyclopropyl)-2-fluorophenol
CID 162357591
2-(3,3-difluoropyrrolidin-2-yl)phenol
CID 84721047
2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]phenol
CID 142700630
4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270263
2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol
CID 84720448
2-[2-(hydroxymethyl)-2-methylpiperidin-4-yl]phenol
CID 117258606
2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
CID 175160765
1-[2-(3,3-difluorocyclohexyl)phenyl]ethanone
CID 115042508
1-(2-bromo-2-fluorocyclopropyl)-2-chlorobenzene
CID 142772570

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)phenol?
The IUPAC name of 2-(3,3-difluorocyclobutyl)phenol (CID 115016625) is 2-(3,3-difluorocyclobutyl)phenol.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)phenol?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)phenol is Oc1ccccc1C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)phenol?
The InChIKey is XJXHBJNRESJMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c11-10(12)5-7(6-10)8-3-1-2-4-9(8)13/h1-4,7,13H,5-6H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)phenol?
2-(3,3-difluorocyclobutyl)phenol has a molecular weight of 184.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)phenol is sourced from PubChem (CID 115016625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).