(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol

C11H14ClFN4O3 — CID 89211723

IUPAC(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol
SMILESCC(O[C@H](CO)C(O)CF)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H14ClFN4O3/c1-6(20-8(3-18)7(19)2-13)17-5-16-9-10(12)14-4-15-11(9)17/h4-8,18-19H,2-3H2,1H3/t6?,7?,8-/m1/s1
InChIKeyLOWMZDKSVHRVIN-KAVNDROISA-N
MW304.71 g/mol
LogP0.71
Rot. Bonds6

About (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol

(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol (PubChem CID 89211723) has the molecular formula C11H14ClFN4O3 and a molecular weight of 304.71 g/mol. Its IUPAC name is (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol.

Molecular Properties

Compound Name(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol
PubChem CID89211723
Molecular FormulaC11H14ClFN4O3
Molecular Weight304.71 g/mol
Exact Mass304.07
IUPAC Name(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol
SMILESCC(O[C@H](CO)C(O)CF)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H14ClFN4O3/c1-6(20-8(3-18)7(19)2-13)17-5-16-9-10(12)14-4-15-11(9)17/h4-8,18-19H,2-3H2,1H3/t6?,7?,8-/m1/s1
InChIKeyLOWMZDKSVHRVIN-KAVNDROISA-N
XLogP0.71
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-9-[1-[(2R)-1,3,4-trihydroxybutan-2-yl]oxyethyl]-1H-purin-6-one
CID 136502764
[(3S)-3-[1-(6-aminopurin-9-yl)ethoxy]-1-hydroxypentan-2-yl] methyl hydrogen phosphate
CID 173465381
6-chloro-9-(1-phenylpropan-2-yl)purine
CID 21152107
(2R,3R,4R)-1-(6-chloropurin-9-yl)-3,4,5-trihydroxy-2-methoxypentan-1-one
CID 54040668
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414
2-[(6-chloropurin-9-yl)-phenylmethyl]prop-2-en-1-ol
CID 164617358
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
6-chloro-9-(6-chloropurin-9-yl)oxypurine
CID 174748519
[(2R,3R,4S,5R,6S)-2,3,4,5-tetraacetyloxy-6-(6-chloropurin-9-yl)-6-ethylsulfanylhexyl] acetate
CID 127256518
9-(1-ethoxyethyl)-N,N-dimethylpurin-6-amine
CID 86016896
N-[3-(6-chloropurin-9-yl)butanoyl]benzamide
CID 135001309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol?
The IUPAC name of (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol (CID 89211723) is (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol.
What is the SMILES notation for (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol?
The canonical SMILES for (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol is CC(O[C@H](CO)C(O)CF)n1cnc2c(Cl)ncnc21.
What is the InChIKey of (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol?
The InChIKey is LOWMZDKSVHRVIN-KAVNDROISA-N. The full InChI is InChI=1S/C11H14ClFN4O3/c1-6(20-8(3-18)7(19)2-13)17-5-16-9-10(12)14-4-15-11(9)17/h4-8,18-19H,2-3H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol?
(2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol has a molecular weight of 304.71 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(6-chloropurin-9-yl)ethoxy]-4-fluorobutane-1,3-diol is sourced from PubChem (CID 89211723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).