1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 115592917

IUPAC1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC1CCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-14(5-7-3-2-4-16-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeySUCJBJBFNCCCKQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.37
Rot. Bonds3

About 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115592917) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115592917
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CC1CCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-14(5-7-3-2-4-16-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeySUCJBJBFNCCCKQ-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115592917) is 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is CN(CC1CCCO1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SUCJBJBFNCCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-14(5-7-3-2-4-16-7)8(15)13-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115592917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).