[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol

C11H10F4N4O2 — CID 54381123

IUPAC[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)[C@H](n2cnc3c(C(F)(F)F)ncnc32)O1
InChIInChI=1S/C11H10F4N4O2/c12-6-1-5(2-20)21-10(6)19-4-18-7-8(11(13,14)15)16-3-17-9(7)19/h3-6,10,20H,1-2H2/t5-,6-,10+/m0/s1
InChIKeyUZYRJLPEZSHVIO-JFWOZONXSA-N
MW306.22 g/mol
LogP1.46
Rot. Bonds2

About [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol

[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol (PubChem CID 54381123) has the molecular formula C11H10F4N4O2 and a molecular weight of 306.22 g/mol. Its IUPAC name is [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
PubChem CID54381123
Molecular FormulaC11H10F4N4O2
Molecular Weight306.22 g/mol
Exact Mass306.07
IUPAC Name[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)[C@H](n2cnc3c(C(F)(F)F)ncnc32)O1
InChIInChI=1S/C11H10F4N4O2/c12-6-1-5(2-20)21-10(6)19-4-18-7-8(11(13,14)15)16-3-17-9(7)19/h3-6,10,20H,1-2H2/t5-,6-,10+/m0/s1
InChIKeyUZYRJLPEZSHVIO-JFWOZONXSA-N
XLogP1.46
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)purin-9-yl]oxolane-3,4-diol
CID 11723503
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004
6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine
CID 59964788
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2R,3S,5S)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 162472561
5-(hydroxymethyl)-2-(6-methoxypurin-9-yl)oxolan-3-ol
CID 76803071
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
CID 170064725
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one;[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 136603529

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol (CID 54381123) is [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol is OC[C@@H]1C[C@H](F)[C@H](n2cnc3c(C(F)(F)F)ncnc32)O1.
What is the InChIKey of [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol?
The InChIKey is UZYRJLPEZSHVIO-JFWOZONXSA-N. The full InChI is InChI=1S/C11H10F4N4O2/c12-6-1-5(2-20)21-10(6)19-4-18-7-8(11(13,14)15)16-3-17-9(7)19/h3-6,10,20H,1-2H2/t5-,6-,10+/m0/s1.
What are the key properties of [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol?
[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol has a molecular weight of 306.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 54381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).