1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

C11H19F3N2O2 — CID 115620424

IUPAC1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-10(18)16(6-7-17)9-4-2-1-3-5-9/h9,17H,1-8H2,(H,15,18)
InChIKeyIVFXMEDOXYBLEI-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.89
Rot. Bonds4

About 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115620424) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115620424
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-10(18)16(6-7-17)9-4-2-1-3-5-9/h9,17H,1-8H2,(H,15,18)
InChIKeyIVFXMEDOXYBLEI-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310161
N-cyclopentyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 114037858
1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 75449821
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
[2-hydroxyethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 114809431

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115620424) is 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IVFXMEDOXYBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-10(18)16(6-7-17)9-4-2-1-3-5-9/h9,17H,1-8H2,(H,15,18).
What are the key properties of 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 268.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115620424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).