1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C10H13F3N2O2S — CID 71934962

IUPAC1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)Cc1ccsc1
InChIInChI=1S/C10H13F3N2O2S/c11-10(12,13)7-14-9(17)15(2-3-16)5-8-1-4-18-6-8/h1,4,6,16H,2-3,5,7H2,(H,14,17)
InChIKeyMGABCCNETHCFRW-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.81
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 71934962) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID71934962
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)Cc1ccsc1
InChIInChI=1S/C10H13F3N2O2S/c11-10(12,13)7-14-9(17)15(2-3-16)5-8-1-4-18-6-8/h1,4,6,16H,2-3,5,7H2,(H,14,17)
InChIKeyMGABCCNETHCFRW-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 71934962) is 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCO)Cc1ccsc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MGABCCNETHCFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c11-10(12,13)7-14-9(17)15(2-3-16)5-8-1-4-18-6-8/h1,4,6,16H,2-3,5,7H2,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 282.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 71934962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).