1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea

C11H19F3N2O — CID 86811886

IUPAC1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-10(17)15-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyDVEIKEYWOCINMJ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 86811886) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID86811886
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-10(17)15-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyDVEIKEYWOCINMJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951802
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
1-(2-cyclohexylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99858704
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263691
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994237

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 86811886) is 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCCC1CCCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DVEIKEYWOCINMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16-10(17)15-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17).
What are the key properties of 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 252.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 86811886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).