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

C13H24F3N2O4P — CID 4061196

IUPAC1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea
SMILESCCOP(=O)(OCC)C(NC(=O)NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N2O4P/c1-3-21-23(20,22-4-2)11(13(14,15)16)18-12(19)17-10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyRBUYSMZSSMHTCJ-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.77
Rot. Bonds7

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

1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea (PubChem CID 4061196) has the molecular formula C13H24F3N2O4P and a molecular weight of 360.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea
PubChem CID4061196
Molecular FormulaC13H24F3N2O4P
Molecular Weight360.31 g/mol
Exact Mass360.14
IUPAC Name1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea
SMILESCCOP(=O)(OCC)C(NC(=O)NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N2O4P/c1-3-21-23(20,22-4-2)11(13(14,15)16)18-12(19)17-10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyRBUYSMZSSMHTCJ-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(1S)-1-diethoxyphosphoryl-2,2,2-trifluoroethyl]urea
CID 7689863
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
ethyl N-[(1S)-1-(cyclohexylcarbamoylamino)-2-methylpropyl]carbamate
CID 44614601
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
ethyl 2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-phenylpropanoate
CID 2968364
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea (CID 4061196) is 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea is CCOP(=O)(OCC)C(NC(=O)NC1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea?
The InChIKey is RBUYSMZSSMHTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N2O4P/c1-3-21-23(20,22-4-2)11(13(14,15)16)18-12(19)17-10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea?
1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea has a molecular weight of 360.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 4061196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).