2-(3,3-difluoro-2-methyloxiran-2-yl)phenol

C9H8F2O2 — CID 130034849

IUPAC2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
SMILESCC1(c2ccccc2O)OC1(F)F
InChIInChI=1S/C9H8F2O2/c1-8(9(10,11)13-8)6-4-2-3-5-7(6)12/h2-5,12H,1H3
InChIKeyCJWMOTJDZAJRSW-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.23
Rot. Bonds1

About 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol

2-(3,3-difluoro-2-methyloxiran-2-yl)phenol (PubChem CID 130034849) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol.

Molecular Properties

Compound Name2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
PubChem CID130034849
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(3,3-difluoro-2-methyloxiran-2-yl)phenol
SMILESCC1(c2ccccc2O)OC1(F)F
InChIInChI=1S/C9H8F2O2/c1-8(9(10,11)13-8)6-4-2-3-5-7(6)12/h2-5,12H,1H3
InChIKeyCJWMOTJDZAJRSW-UHFFFAOYSA-N
XLogP2.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol?
The IUPAC name of 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol (CID 130034849) is 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol.
What is the SMILES notation for 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol?
The canonical SMILES for 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol is CC1(c2ccccc2O)OC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol?
The InChIKey is CJWMOTJDZAJRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-8(9(10,11)13-8)6-4-2-3-5-7(6)12/h2-5,12H,1H3.
What are the key properties of 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol?
2-(3,3-difluoro-2-methyloxiran-2-yl)phenol has a molecular weight of 186.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-2-methyloxiran-2-yl)phenol is sourced from PubChem (CID 130034849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).