1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea

C8H9F3N2O2 — CID 162555684

IUPAC1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1coc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2/c1-5-2-6(15-3-5)13-7(14)12-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13,14)
InChIKeySUTRSVFCCDRRBP-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.27
Rot. Bonds2

About 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 162555684) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID162555684
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1coc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2/c1-5-2-6(15-3-5)13-7(14)12-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13,14)
InChIKeySUTRSVFCCDRRBP-UHFFFAOYSA-N
XLogP2.27
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 162555684) is 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea is Cc1coc(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SUTRSVFCCDRRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5-2-6(15-3-5)13-7(14)12-4-8(9,10)11/h2-3H,4H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 222.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylfuran-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 162555684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).