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

C10H17F3N2O2 — CID 115592924

IUPAC1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-15(6-8-4-3-5-17-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyGGKAZMDFOGDCMH-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.76
Rot. Bonds4

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

1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115592924) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115592924
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC1CCCO1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-15(6-8-4-3-5-17-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyGGKAZMDFOGDCMH-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115592924) is 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is CCN(CC1CCCO1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GGKAZMDFOGDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-15(6-8-4-3-5-17-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 254.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115592924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).