2,2-difluoro-1-(4-methoxyphenyl)ethanol

C9H10F2O2 — CID 15783623

IUPAC2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3
InChIKeyISFCVJGNLBFSOB-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-1-(4-methoxyphenyl)ethanol

2,2-difluoro-1-(4-methoxyphenyl)ethanol (PubChem CID 15783623) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methoxyphenyl)ethanol
PubChem CID15783623
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2,2-difluoro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3
InChIKeyISFCVJGNLBFSOB-UHFFFAOYSA-N
XLogP1.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(4-methoxyphenyl)ethanol (CID 15783623) is 2,2-difluoro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)C(F)F)cc1.
What is the InChIKey of 2,2-difluoro-1-(4-methoxyphenyl)ethanol?
The InChIKey is ISFCVJGNLBFSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-13-7-4-2-6(3-5-7)8(12)9(10)11/h2-5,8-9,12H,1H3.
What are the key properties of 2,2-difluoro-1-(4-methoxyphenyl)ethanol?
2,2-difluoro-1-(4-methoxyphenyl)ethanol has a molecular weight of 188.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 15783623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).