6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione

C10H12F2N2O2 — CID 11557671

IUPAC6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESC=CCC(F)(F)c1cc(=O)n(CC)c(=O)[nH]1
InChIInChI=1S/C10H12F2N2O2/c1-3-5-10(11,12)7-6-8(15)14(4-2)9(16)13-7/h3,6H,1,4-5H2,2H3,(H,13,16)
InChIKeyZLIQCPPPNNZDJD-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.22
Rot. Bonds4

About 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione

6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 11557671) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID11557671
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESC=CCC(F)(F)c1cc(=O)n(CC)c(=O)[nH]1
InChIInChI=1S/C10H12F2N2O2/c1-3-5-10(11,12)7-6-8(15)14(4-2)9(16)13-7/h3,6H,1,4-5H2,2H3,(H,13,16)
InChIKeyZLIQCPPPNNZDJD-UHFFFAOYSA-N
XLogP1.22
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Heptafluoropropyl)-3methyluracil
CID 138756358
3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472057
3-isopropyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 11206812
3-pentan-3-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21510788
3-[(E)-but-2-enyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21510802
3-n-Butyl-6-(trifluoromethyl)uracil
CID 21824418
3-butan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21824420
3-but-2-enyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 53664361
6-(3-amino-3-fluoropropyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67562026
1-Butyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 70256396
2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019131
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
CID 71019132

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione (CID 11557671) is 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione is C=CCC(F)(F)c1cc(=O)n(CC)c(=O)[nH]1.
What is the InChIKey of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZLIQCPPPNNZDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-3-5-10(11,12)7-6-8(15)14(4-2)9(16)13-7/h3,6H,1,4-5H2,2H3,(H,13,16).
What are the key properties of 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 230.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluorobut-3-enyl)-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11557671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).