1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea

C7H7F3N2OS — CID 115749797

IUPAC1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccsc1
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)4-11-6(13)12-5-1-2-14-3-5/h1-3H,4H2,(H2,11,12,13)
InChIKeyXKCUIFFPAHPFGX-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.43
Rot. Bonds2

About 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea

1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115749797) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115749797
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccsc1
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)4-11-6(13)12-5-1-2-14-3-5/h1-3H,4H2,(H2,11,12,13)
InChIKeyXKCUIFFPAHPFGX-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea (CID 115749797) is 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XKCUIFFPAHPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)4-11-6(13)12-5-1-2-14-3-5/h1-3H,4H2,(H2,11,12,13).
What are the key properties of 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea?
1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 224.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115749797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).