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

C8H13F3N2O — CID 115662998

IUPAC1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H13F3N2O/c1-13(6-3-2-4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyGSVFUGATARZLTL-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.74
Rot. Bonds2

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

1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115662998) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115662998
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H13F3N2O/c1-13(6-3-2-4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyGSVFUGATARZLTL-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
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
1-(2-aminocyclohexyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 102639224
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-cyclobutyl-1,3-dimethylurea
CID 66861755

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 115662998) is 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(C(=O)NCC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GSVFUGATARZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-13(6-3-2-4-6)7(14)12-5-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 210.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115662998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).