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

C9H17F3N2O2 — CID 116657271

IUPAC1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(C(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O2/c1-7(2)14(4-5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyWATZEAUYHWSXNT-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.62
Rot. Bonds5

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

1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 116657271) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
PubChem CID116657271
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(C(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O2/c1-7(2)14(4-5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyWATZEAUYHWSXNT-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.62
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-propan-2-yl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea (CID 116657271) is 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea is COCCN(C(=O)NCC(F)(F)F)C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WATZEAUYHWSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(2)14(4-5-16-3)8(15)13-6-9(10,11)12/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea?
1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 242.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116657271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).