2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol

C12H10F2N2O — CID 114552917

IUPAC2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1c(F)cccc1F)c1ncccn1
InChIInChI=1S/C12H10F2N2O/c13-9-3-1-4-10(14)8(9)7-11(17)12-15-5-2-6-16-12/h1-6,11,17H,7H2
InChIKeyVAKOHXOJPBHPTP-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.03
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol

2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol (PubChem CID 114552917) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
PubChem CID114552917
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1c(F)cccc1F)c1ncccn1
InChIInChI=1S/C12H10F2N2O/c13-9-3-1-4-10(14)8(9)7-11(17)12-15-5-2-6-16-12/h1-6,11,17H,7H2
InChIKeyVAKOHXOJPBHPTP-UHFFFAOYSA-N
XLogP2.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanol
CID 62606143
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
CID 60798851
2-(2,6-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 114552816
2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol
CID 114931016
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
2-(2,6-difluorophenyl)-1-pyridin-2-ylethanamine
CID 114931758
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol (CID 114552917) is 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol is OC(Cc1c(F)cccc1F)c1ncccn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol?
The InChIKey is VAKOHXOJPBHPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-3-1-4-10(14)8(9)7-11(17)12-15-5-2-6-16-12/h1-6,11,17H,7H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol?
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol has a molecular weight of 236.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol is sourced from PubChem (CID 114552917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).