1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea

C8H11FN2OS — CID 130657529

IUPAC1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea
SMILESCC(CF)NC(=O)Nc1ccsc1
InChIInChI=1S/C8H11FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12)
InChIKeyVUQFUXMFYUJSMC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea

1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea (PubChem CID 130657529) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea
PubChem CID130657529
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea
SMILESCC(CF)NC(=O)Nc1ccsc1
InChIInChI=1S/C8H11FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12)
InChIKeyVUQFUXMFYUJSMC-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea (CID 130657529) is 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea is CC(CF)NC(=O)Nc1ccsc1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea?
The InChIKey is VUQFUXMFYUJSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea?
1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea has a molecular weight of 202.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 130657529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).