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

C10H17F3N2O — CID 116655133

IUPAC3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CC(F)(F)F)C(=O)NC1CCC1
InChIInChI=1S/C10H17F3N2O/c1-2-6-15(7-10(11,12)13)9(16)14-8-4-3-5-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyNRWKADVRBCACBJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.52
Rot. Bonds4

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

3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 116655133) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID116655133
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
SMILESCCCN(CC(F)(F)F)C(=O)NC1CCC1
InChIInChI=1S/C10H17F3N2O/c1-2-6-15(7-10(11,12)13)9(16)14-8-4-3-5-8/h8H,2-7H2,1H3,(H,14,16)
InChIKeyNRWKADVRBCACBJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

3-(oxolan-3-yl)-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655134
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
CID 107493788
2-(cyclopentylamino)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60944875
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
2-[(3-methylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266181
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
3-cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002685

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea (CID 116655133) is 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea is CCCN(CC(F)(F)F)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is NRWKADVRBCACBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-6-15(7-10(11,12)13)9(16)14-8-4-3-5-8/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea?
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).