1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea

C11H21F3N2O2 — CID 113226998

IUPAC1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea
SMILESCCC(CC)N(CCOC)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-9(5-2)16(6-7-18-3)10(17)15-8-11(12,13)14/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyXWCCAZCOGVEPOZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.40
Rot. Bonds7

About 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea

1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113226998) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea
PubChem CID113226998
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea
SMILESCCC(CC)N(CCOC)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-4-9(5-2)16(6-7-18-3)10(17)15-8-11(12,13)14/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyXWCCAZCOGVEPOZ-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea (CID 113226998) is 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea is CCC(CC)N(CCOC)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XWCCAZCOGVEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-9(5-2)16(6-7-18-3)10(17)15-8-11(12,13)14/h9H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea?
1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 270.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-pentan-3-yl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113226998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).