1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea

C11H6F4N2OS — CID 4101598

IUPAC1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H6F4N2OS/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)16-7-2-1-3-19-7/h1-4H,(H2,16,17,18)
InChIKeyCVSFFBRFACIKQQ-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.95
Rot. Bonds2

About 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea

1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea (PubChem CID 4101598) has the molecular formula C11H6F4N2OS and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea
PubChem CID4101598
Molecular FormulaC11H6F4N2OS
Molecular Weight290.24 g/mol
Exact Mass290.01
IUPAC Name1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C11H6F4N2OS/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)16-7-2-1-3-19-7/h1-4H,(H2,16,17,18)
InChIKeyCVSFFBRFACIKQQ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea (CID 4101598) is 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea?
The InChIKey is CVSFFBRFACIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2OS/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)16-7-2-1-3-19-7/h1-4H,(H2,16,17,18).
What are the key properties of 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea?
1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea has a molecular weight of 290.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluorophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 4101598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).