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

C10H17F3N2O — CID 115584066

IUPAC1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H17F3N2O/c1-15(8-5-3-2-4-6-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyIESXWZVMDCZTNB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.52
Rot. Bonds2

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

1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115584066) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115584066
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H17F3N2O/c1-15(8-5-3-2-4-6-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyIESXWZVMDCZTNB-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
1-methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 102639224
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 115584066) is 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(C(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IESXWZVMDCZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15(8-5-3-2-4-6-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115584066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).