6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

C10H11ClF4N2O2 — CID 114169287

IUPAC6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H11ClF4N2O2/c1-4(2)5-6(11)16-9(19)17(7(5)18)3-10(14,15)8(12)13/h4,8H,3H2,1-2H3,(H,16,19)
InChIKeyFWWYIAMBLDNUCY-UHFFFAOYSA-N
MW302.66 g/mol
LogP2.21
Rot. Bonds4

About 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione

6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (PubChem CID 114169287) has the molecular formula C10H11ClF4N2O2 and a molecular weight of 302.66 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
PubChem CID114169287
Molecular FormulaC10H11ClF4N2O2
Molecular Weight302.66 g/mol
Exact Mass302.04
IUPAC Name6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O
InChIInChI=1S/C10H11ClF4N2O2/c1-4(2)5-6(11)16-9(19)17(7(5)18)3-10(14,15)8(12)13/h4,8H,3H2,1-2H3,(H,16,19)
InChIKeyFWWYIAMBLDNUCY-UHFFFAOYSA-N
XLogP2.21
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.66
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione (CID 114169287) is 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is CC(C)c1c(Cl)[nH]c(=O)n(CC(F)(F)C(F)F)c1=O.
What is the InChIKey of 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FWWYIAMBLDNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2O2/c1-4(2)5-6(11)16-9(19)17(7(5)18)3-10(14,15)8(12)13/h4,8H,3H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 302.66 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114169287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).