2-[1-(1,1-difluoroethyl)cyclobutyl]phenol

C12H14F2O — CID 84723399

IUPAC2-[1-(1,1-difluoroethyl)cyclobutyl]phenol
SMILESCC(F)(F)C1(c2ccccc2O)CCC1
InChIInChI=1S/C12H14F2O/c1-11(13,14)12(7-4-8-12)9-5-2-3-6-10(9)15/h2-3,5-6,15H,4,7-8H2,1H3
InChIKeyZQYGMZUGUDFRAJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.47
Rot. Bonds2

About 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol

2-[1-(1,1-difluoroethyl)cyclobutyl]phenol (PubChem CID 84723399) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol.

Molecular Properties

Compound Name2-[1-(1,1-difluoroethyl)cyclobutyl]phenol
PubChem CID84723399
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-[1-(1,1-difluoroethyl)cyclobutyl]phenol
SMILESCC(F)(F)C1(c2ccccc2O)CCC1
InChIInChI=1S/C12H14F2O/c1-11(13,14)12(7-4-8-12)9-5-2-3-6-10(9)15/h2-3,5-6,15H,4,7-8H2,1H3
InChIKeyZQYGMZUGUDFRAJ-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[1-(1,1-difluoroethyl)cyclopropyl]benzene
CID 84729594
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
CID 84723107
1-[1-(1,1-difluoroethyl)cyclobutyl]-3-fluorobenzene
CID 84723631
3-[1-(1,1-difluoroethyl)cyclohexyl]benzaldehyde
CID 84729037
2-[1-(dimethylamino)cyclopentyl]phenol
CID 115024209
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
2-[1-(dimethylamino)cyclohexyl]phenol
CID 115031583
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
2-[1-(diethylaminomethyl)cyclobutyl]phenol
CID 115039759
3-(1-aminocyclobutyl)-2-methylphenol
CID 117277633
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
CID 130034849

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol?
The IUPAC name of 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol (CID 84723399) is 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol.
What is the SMILES notation for 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol?
The canonical SMILES for 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol is CC(F)(F)C1(c2ccccc2O)CCC1.
What is the InChIKey of 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol?
The InChIKey is ZQYGMZUGUDFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-11(13,14)12(7-4-8-12)9-5-2-3-6-10(9)15/h2-3,5-6,15H,4,7-8H2,1H3.
What are the key properties of 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol?
2-[1-(1,1-difluoroethyl)cyclobutyl]phenol has a molecular weight of 212.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1-difluoroethyl)cyclobutyl]phenol is sourced from PubChem (CID 84723399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).