1-cyclododecyl-3-(trifluoromethyl)urea

C14H25F3N2O — CID 108865906

IUPAC1-cyclododecyl-3-(trifluoromethyl)urea
SMILESO=C(NC1CCCCCCCCCCC1)NC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)19-13(20)18-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H2,18,19,20)
InChIKeyMEIZSDQKAMKWPU-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.48
Rot. Bonds1

About 1-cyclododecyl-3-(trifluoromethyl)urea

1-cyclododecyl-3-(trifluoromethyl)urea (PubChem CID 108865906) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-cyclododecyl-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-cyclododecyl-3-(trifluoromethyl)urea
PubChem CID108865906
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-cyclododecyl-3-(trifluoromethyl)urea
SMILESO=C(NC1CCCCCCCCCCC1)NC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)19-13(20)18-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H2,18,19,20)
InChIKeyMEIZSDQKAMKWPU-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-piperidin-4-yl-3-(trifluoromethyl)urea
CID 174597636
2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792259
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-(trifluoromethyl)urea?
The IUPAC name of 1-cyclododecyl-3-(trifluoromethyl)urea (CID 108865906) is 1-cyclododecyl-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-cyclododecyl-3-(trifluoromethyl)urea?
The canonical SMILES for 1-cyclododecyl-3-(trifluoromethyl)urea is O=C(NC1CCCCCCCCCCC1)NC(F)(F)F.
What is the InChIKey of 1-cyclododecyl-3-(trifluoromethyl)urea?
The InChIKey is MEIZSDQKAMKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)19-13(20)18-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H2,18,19,20).
What are the key properties of 1-cyclododecyl-3-(trifluoromethyl)urea?
1-cyclododecyl-3-(trifluoromethyl)urea has a molecular weight of 294.36 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-(trifluoromethyl)urea is sourced from PubChem (CID 108865906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).