(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol

C13H9F3N2O2 — CID 72735652

IUPAC(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol
SMILESO[C@H](c1ncncc1F)[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C13H9F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6,12,19H,5H2/t12-,13+/m1/s1
InChIKeyDUADAPLPIKBAMD-OLZOCXBDSA-N
MW282.22 g/mol
LogP1.85
Rot. Bonds3

About (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol

(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol (PubChem CID 72735652) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol
PubChem CID72735652
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol
SMILESO[C@H](c1ncncc1F)[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C13H9F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6,12,19H,5H2/t12-,13+/m1/s1
InChIKeyDUADAPLPIKBAMD-OLZOCXBDSA-N
XLogP1.85
TPSA58.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2r,3r)-3-(2,4-Difluorophenyl)-2-(5-fluoropyrimidin-4-yl)-4-(1h-1,2,4-triazol-1-yl)butane-1,3-diol
CID 125264509
(1R,2S)-3-chloro-2-(2,4-difluorophenyl)-1-(5-fluoropyrimidin-4-yl)-1-trimethylsilyloxypropan-2-ol
CID 72736484
4-[1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethenyl]-5-fluoropyrimidine
CID 72736661
4-[(1S)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-5-fluoropyrimidine
CID 72736662
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 171556833
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 171557738
1-Phenyl-2-pyrimidin-4-ylethanol
CID 2737632
4-Hydroxyvoriconazole
CID 131769987
3-(2,4-Difluorophenyl)-2-(5-fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butane-1,3-diol
CID 177857408
(-)-(2R,3S)-2-(2,4-Difluorophenyl)-3-(pyrimidin-4-yl)butan-1,2-diol
CID 22844240
(2S,3R)-1-Acetoxy-2-(2,4-difluorophenyl)-3-(pyrimidin-4-yl)butan-2-ol
CID 57184320
(2S,3R)-2-(2,4-Difluorophenyl)-3-(pyrimidin-4-yl)butan-1,2-diol
CID 57290484

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol?
The IUPAC name of (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol (CID 72735652) is (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol.
What is the SMILES notation for (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol?
The canonical SMILES for (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol is O[C@H](c1ncncc1F)[C@@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol?
The InChIKey is DUADAPLPIKBAMD-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-7-1-2-8(9(15)3-7)13(5-20-13)12(19)11-10(16)4-17-6-18-11/h1-4,6,12,19H,5H2/t12-,13+/m1/s1.
What are the key properties of (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol?
(R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol has a molecular weight of 282.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]-(5-fluoropyrimidin-4-yl)methanol is sourced from PubChem (CID 72735652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).