3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea

C8H15F3N2O — CID 115585947

IUPAC3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCCNC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H15F3N2O/c1-4-12-7(14)13(6(2)3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyVKIVSCZYRFNAFA-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.99
Rot. Bonds3

About 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea

3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 115585947) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
PubChem CID115585947
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCCNC(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H15F3N2O/c1-4-12-7(14)13(6(2)3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyVKIVSCZYRFNAFA-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 107839320
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
(2S)-4-amino-4-oxo-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 63719033
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62636977
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
2-ethylsulfinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 75427200
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 134570976
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (CID 115585947) is 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is CCNC(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is VKIVSCZYRFNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-4-12-7(14)13(6(2)3)5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 212.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115585947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).