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

C11H19F3N2O2 — CID 113225931

IUPAC1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)15-6-7-18-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyRWFRVSSUFWMBDI-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.20
Rot. Bonds5

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

1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113225931) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113225931
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOC1CCCCC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)15-6-7-18-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyRWFRVSSUFWMBDI-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002250
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cycloheptyloxyethyl)-3-(2-hydroxycyclohexyl)urea
CID 111428425
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 113225931) is 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCCOC1CCCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is RWFRVSSUFWMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)15-6-7-18-9-4-2-1-3-5-9/h9H,1-8H2,(H2,15,16,17).
What are the key properties of 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 268.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113225931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).