1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea

C5H9F3N2O2 — CID 108865976

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea
SMILESCN(CCO)C(=O)NC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-10(2-3-11)4(12)9-5(6,7)8/h11H,2-3H2,1H3,(H,9,12)
InChIKeyKBMFFARRKJOLSE-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.14
Rot. Bonds2

About 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea

1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea (PubChem CID 108865976) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea
PubChem CID108865976
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea
SMILESCN(CCO)C(=O)NC(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c1-10(2-3-11)4(12)9-5(6,7)8/h11H,2-3H2,1H3,(H,9,12)
InChIKeyKBMFFARRKJOLSE-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-1-(2-hydroxyethyl)-1-methylurea
CID 60960998
1,1-dimethyl-3-(trifluoromethyl)urea
CID 174290727
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 65169047
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
4-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 175236529
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-(2-hydroxyethyl)-N-methyl-3-oxobutanamide
CID 15211329
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526209
4-[[[2-hydroxyethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 61204270
N-(2-hydroxyethyl)-N,3,4,4-tetramethylpentanamide
CID 63834183

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea (CID 108865976) is 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea is CN(CCO)C(=O)NC(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea?
The InChIKey is KBMFFARRKJOLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c1-10(2-3-11)4(12)9-5(6,7)8/h11H,2-3H2,1H3,(H,9,12).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea has a molecular weight of 186.13 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)urea is sourced from PubChem (CID 108865976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).