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

C9H11F3N2OS — CID 116655677

IUPAC1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H11F3N2OS/c1-6(7-2-3-16-4-7)14-8(15)13-5-9(10,11)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
InChIKeyMKFXMBOGSLYVBJ-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.67
Rot. Bonds3

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

1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116655677) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID116655677
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C9H11F3N2OS/c1-6(7-2-3-16-4-7)14-8(15)13-5-9(10,11)12/h2-4,6H,5H2,1H3,(H2,13,14,15)
InChIKeyMKFXMBOGSLYVBJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
2-[(1-thiophen-3-ylethylcarbamoylamino)methyl]pentanoic acid
CID 65221822
3-[(1-thiophen-3-ylethylcarbamoylamino)methyl]benzoic acid
CID 62844610
3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 116655677) is 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea is CC(NC(=O)NCC(F)(F)F)c1ccsc1.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MKFXMBOGSLYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-6(7-2-3-16-4-7)14-8(15)13-5-9(10,11)12/h2-4,6H,5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 252.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).