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

C10H19F3N2O3 — CID 115672442

IUPAC1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(C(=O)NCC(F)(F)F)C(C)COC
InChIInChI=1S/C10H19F3N2O3/c1-8(6-18-3)15(4-5-17-2)9(16)14-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyVANRQJNTCFTTCN-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.24
Rot. Bonds7

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

1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115672442) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115672442
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC Name1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(C(=O)NCC(F)(F)F)C(C)COC
InChIInChI=1S/C10H19F3N2O3/c1-8(6-18-3)15(4-5-17-2)9(16)14-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyVANRQJNTCFTTCN-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115672442) is 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is COCCN(C(=O)NCC(F)(F)F)C(C)COC.
What is the InChIKey of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VANRQJNTCFTTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-8(6-18-3)15(4-5-17-2)9(16)14-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 272.27 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115672442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).