5'-Deoxy-5'-fluorothymidine

C10H13FN2O4 — CID 97675

IUPAC1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O
InChIInChI=1S/C10H13FN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKeyMYWVPKQWFIVGJZ-XLPZGREQSA-N
MW244.22 g/mol
LogP-0.70
Rot. Bonds2

About 5'-Deoxy-5'-fluorothymidine

5'-Deoxy-5'-fluorothymidine (PubChem CID 97675) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5'-Deoxy-5'-fluorothymidine
PubChem CID97675
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O
InChIInChI=1S/C10H13FN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKeyMYWVPKQWFIVGJZ-XLPZGREQSA-N
XLogP-0.70
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thymidine
CID 5789
Floxuridine
CID 5790
Trifluridine
CID 6256
Telbivudine
CID 159269
5'-Thymidylic acid
CID 9700
Doxifluridine
CID 18343
Fialuridine
CID 50313
3'-Fluorothymidine
CID 33039
5-Fluorouridine
CID 9427
5-Methyluridine
CID 445408
1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
CID 1134
Clevudine
CID 73115

Frequently Asked Questions

What is the IUPAC name of 5'-Deoxy-5'-fluorothymidine?
The IUPAC name of 5'-Deoxy-5'-fluorothymidine (CID 97675) is 1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5'-Deoxy-5'-fluorothymidine?
The canonical SMILES for 5'-Deoxy-5'-fluorothymidine is CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O.
What is the InChIKey of 5'-Deoxy-5'-fluorothymidine?
The InChIKey is MYWVPKQWFIVGJZ-XLPZGREQSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1.
What are the key properties of 5'-Deoxy-5'-fluorothymidine?
5'-Deoxy-5'-fluorothymidine has a molecular weight of 244.22 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-Deoxy-5'-fluorothymidine is sourced from PubChem (CID 97675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).