1-(furan-2-yl)-3-(trifluoromethyl)urea

C6H5F3N2O2 — CID 151624320

IUPAC1-(furan-2-yl)-3-(trifluoromethyl)urea
SMILESO=C(Nc1ccco1)NC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)11-5(12)10-4-2-1-3-13-4/h1-3H,(H2,10,11,12)
InChIKeyQPDXIWVEJZNFQL-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.92
Rot. Bonds1

About 1-(furan-2-yl)-3-(trifluoromethyl)urea

1-(furan-2-yl)-3-(trifluoromethyl)urea (PubChem CID 151624320) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(trifluoromethyl)urea
PubChem CID151624320
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name1-(furan-2-yl)-3-(trifluoromethyl)urea
SMILESO=C(Nc1ccco1)NC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)11-5(12)10-4-2-1-3-13-4/h1-3H,(H2,10,11,12)
InChIKeyQPDXIWVEJZNFQL-UHFFFAOYSA-N
XLogP1.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2,2-Dimethylpropyl furan-2-ylcarbamate
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5-Fluoro-1-(furan-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 53777786
2-cyano-N-(furan-2-yl)acetamide
CID 2369438
N-(furan-2-yl)acetamide
CID 819115
N-(furan-2-yl)propanamide
CID 10486917
Ureidofurane
CID 54097684
Furylthiourea
CID 55284336
Furanyluracil
CID 70364377
Cyanoaminofuran
CID 119083858

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(trifluoromethyl)urea (CID 151624320) is 1-(furan-2-yl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(trifluoromethyl)urea is O=C(Nc1ccco1)NC(F)(F)F.
What is the InChIKey of 1-(furan-2-yl)-3-(trifluoromethyl)urea?
The InChIKey is QPDXIWVEJZNFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)11-5(12)10-4-2-1-3-13-4/h1-3H,(H2,10,11,12).
What are the key properties of 1-(furan-2-yl)-3-(trifluoromethyl)urea?
1-(furan-2-yl)-3-(trifluoromethyl)urea has a molecular weight of 194.11 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 151624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).