1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea

C11H19F3N2O — CID 113225883

IUPAC1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1CCC(NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-8-3-5-9(6-4-8)16-10(17)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyOWSIOFGZRPEREX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea

1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113225883) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113225883
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1CCC(NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-8-3-5-9(6-4-8)16-10(17)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyOWSIOFGZRPEREX-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
2-[[(4-ethylcyclohexyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65223787
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
1-[1-[(2S)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335352
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
CID 114383861
1-cyclopropyl-3-[2-ethyl-2-(hydroxymethyl)butyl]urea
CID 103842814
4-[(4-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 81069634

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea (CID 113225883) is 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea is CCC1CCC(NC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OWSIOFGZRPEREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-8-3-5-9(6-4-8)16-10(17)15-7-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 252.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113225883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).