1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C14H12F3NO — CID 83124686

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2ccc(F)cn2)c1F
InChIInChI=1S/C14H12F3NO/c1-8-3-5-10(16)12(13(8)17)14(2,19)11-6-4-9(15)7-18-11/h3-7,19H,1-2H3
InChIKeyQFYGQLOQPIRCJA-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83124686) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83124686
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2ccc(F)cn2)c1F
InChIInChI=1S/C14H12F3NO/c1-8-3-5-10(16)12(13(8)17)14(2,19)11-6-4-9(15)7-18-11/h3-7,19H,1-2H3
InChIKeyQFYGQLOQPIRCJA-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 83124686) is 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is Cc1ccc(F)c(C(C)(O)c2ccc(F)cn2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is QFYGQLOQPIRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8-3-5-10(16)12(13(8)17)14(2,19)11-6-4-9(15)7-18-11/h3-7,19H,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 267.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83124686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).