1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol

C13H11F3N2O — CID 123383590

IUPAC1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol
SMILESCC(c1ncncc1F)C(O)c1ccc(F)cc1F
InChIInChI=1S/C13H11F3N2O/c1-7(12-11(16)5-17-6-18-12)13(19)9-3-2-8(14)4-10(9)15/h2-7,13,19H,1H3
InChIKeyPNWNFVQKIXYXKD-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol

1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol (PubChem CID 123383590) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol
PubChem CID123383590
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol
SMILESCC(c1ncncc1F)C(O)c1ccc(F)cc1F
InChIInChI=1S/C13H11F3N2O/c1-7(12-11(16)5-17-6-18-12)13(19)9-3-2-8(14)4-10(9)15/h2-7,13,19H,1H3
InChIKeyPNWNFVQKIXYXKD-UHFFFAOYSA-N
XLogP2.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol (CID 123383590) is 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol is CC(c1ncncc1F)C(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol?
The InChIKey is PNWNFVQKIXYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-7(12-11(16)5-17-6-18-12)13(19)9-3-2-8(14)4-10(9)15/h2-7,13,19H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol?
1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol has a molecular weight of 268.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol is sourced from PubChem (CID 123383590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).