5-(1,1-difluoroethyl)-2-methylphenol

C9H10F2O — CID 84654331

IUPAC5-(1,1-difluoroethyl)-2-methylphenol
SMILESCc1ccc(C(C)(F)F)cc1O
InChIInChI=1S/C9H10F2O/c1-6-3-4-7(5-8(6)12)9(2,10)11/h3-5,12H,1-2H3
InChIKeyLOWONTRAUKCPOV-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.81
Rot. Bonds1

About 5-(1,1-difluoroethyl)-2-methylphenol

5-(1,1-difluoroethyl)-2-methylphenol (PubChem CID 84654331) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-methylphenol.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-methylphenol
PubChem CID84654331
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name5-(1,1-difluoroethyl)-2-methylphenol
SMILESCc1ccc(C(C)(F)F)cc1O
InChIInChI=1S/C9H10F2O/c1-6-3-4-7(5-8(6)12)9(2,10)11/h3-5,12H,1-2H3
InChIKeyLOWONTRAUKCPOV-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-methylphenol?
The IUPAC name of 5-(1,1-difluoroethyl)-2-methylphenol (CID 84654331) is 5-(1,1-difluoroethyl)-2-methylphenol.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-methylphenol?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-methylphenol is Cc1ccc(C(C)(F)F)cc1O.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-methylphenol?
The InChIKey is LOWONTRAUKCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-6-3-4-7(5-8(6)12)9(2,10)11/h3-5,12H,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-methylphenol?
5-(1,1-difluoroethyl)-2-methylphenol has a molecular weight of 172.17 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-methylphenol is sourced from PubChem (CID 84654331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).