1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H11FN2O3 — CID 23261043

IUPAC1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2(CF)CCCO2)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O3/c10-6-9(3-1-5-15-9)12-4-2-7(13)11-8(12)14/h2,4H,1,3,5-6H2,(H,11,13,14)
InChIKeySQHJGVCIWCOOLH-UHFFFAOYSA-N
MW214.20 g/mol
LogP-0.03
Rot. Bonds2

About 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 23261043) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID23261043
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2(CF)CCCO2)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O3/c10-6-9(3-1-5-15-9)12-4-2-7(13)11-8(12)14/h2,4H,1,3,5-6H2,(H,11,13,14)
InChIKeySQHJGVCIWCOOLH-UHFFFAOYSA-N
XLogP-0.03
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 23261043) is 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn(C2(CF)CCCO2)c(=O)[nH]1.
What is the InChIKey of 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is SQHJGVCIWCOOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-6-9(3-1-5-15-9)12-4-2-7(13)11-8(12)14/h2,4H,1,3,5-6H2,(H,11,13,14).
What are the key properties of 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 23261043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).