1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione

C9H10F4N2O3 — CID 6991759

IUPAC1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
SMILESC[C@H](OCC(F)(F)C(F)F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10F4N2O3/c1-5(18-4-9(12,13)7(10)11)15-3-2-6(16)14-8(15)17/h2-3,5,7H,4H2,1H3,(H,14,16,17)/t5-/m0/s1
InChIKeyUIFDPINHESUGRX-YFKPBYRVSA-N
MW270.18 g/mol
LogP0.97
Rot. Bonds5

About 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione

1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 6991759) has the molecular formula C9H10F4N2O3 and a molecular weight of 270.18 g/mol. Its IUPAC name is 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
PubChem CID6991759
Molecular FormulaC9H10F4N2O3
Molecular Weight270.18 g/mol
Exact Mass270.06
IUPAC Name1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
SMILESC[C@H](OCC(F)(F)C(F)F)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H10F4N2O3/c1-5(18-4-9(12,13)7(10)11)15-3-2-6(16)14-8(15)17/h2-3,5,7H,4H2,1H3,(H,14,16,17)/t5-/m0/s1
InChIKeyUIFDPINHESUGRX-YFKPBYRVSA-N
XLogP0.97
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione (CID 6991759) is 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione is C[C@H](OCC(F)(F)C(F)F)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is UIFDPINHESUGRX-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F4N2O3/c1-5(18-4-9(12,13)7(10)11)15-3-2-6(16)14-8(15)17/h2-3,5,7H,4H2,1H3,(H,14,16,17)/t5-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione?
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 270.18 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6991759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).