1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 75887997

IUPAC1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C9H15F3N2O2/c1-6(7-3-2-4-16-7)14-8(15)13-5-9(10,11)12/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyGFCAKNQMWDMYPF-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.42
Rot. Bonds3

About 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 75887997) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID75887997
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C9H15F3N2O2/c1-6(7-3-2-4-16-7)14-8(15)13-5-9(10,11)12/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyGFCAKNQMWDMYPF-UHFFFAOYSA-N
XLogP1.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(tetrahydro-2-furanylmethyl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
CID 2968259
1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 935109
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 6546420
2,2,2-trifluoro-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 17330453
3,3,3-trifluoro-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 45812378
2,2,2-Trifluoroethyl N-[1-(tetrahydro-2-furanyl)ethyl]carbamate
CID 45835509
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 60482197
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
1-[1-(Oxolan-2-yl)propyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 84590588
N-[1-(oxolan-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87007566

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 75887997) is 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CC(NC(=O)NCC(F)(F)F)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GFCAKNQMWDMYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(7-3-2-4-16-7)14-8(15)13-5-9(10,11)12/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 75887997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).