1-cyclopropyl-1-(trifluoromethyl)urea

C5H7F3N2O — CID 175891768

IUPAC1-cyclopropyl-1-(trifluoromethyl)urea
SMILESNC(=O)N(C1CC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10(4(9)11)3-1-2-3/h3H,1-2H2,(H2,9,11)
InChIKeyUWULJWZPXWLGQB-UHFFFAOYSA-N
MW168.12 g/mol
LogP1.05
Rot. Bonds1

About 1-cyclopropyl-1-(trifluoromethyl)urea

1-cyclopropyl-1-(trifluoromethyl)urea (PubChem CID 175891768) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is 1-cyclopropyl-1-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(trifluoromethyl)urea
PubChem CID175891768
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name1-cyclopropyl-1-(trifluoromethyl)urea
SMILESNC(=O)N(C1CC1)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10(4(9)11)3-1-2-3/h3H,1-2H2,(H2,9,11)
InChIKeyUWULJWZPXWLGQB-UHFFFAOYSA-N
XLogP1.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-3-yl-1-(1,1,2-trifluoroethyl)urea
CID 71015507
[carbamoyl(sulfinato)amino]-trifluoromethane
CID 123473839
1-cyclopropyl-1-(oxetan-3-yl)urea
CID 176909139
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
CID 55008888
N-tert-butyl-N-cyclopropyl-2-methylpropanamide
CID 153456658
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874
methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 162490802
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(trifluoromethyl)urea?
The IUPAC name of 1-cyclopropyl-1-(trifluoromethyl)urea (CID 175891768) is 1-cyclopropyl-1-(trifluoromethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(trifluoromethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-(trifluoromethyl)urea is NC(=O)N(C1CC1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-1-(trifluoromethyl)urea?
The InChIKey is UWULJWZPXWLGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)10(4(9)11)3-1-2-3/h3H,1-2H2,(H2,9,11).
What are the key properties of 1-cyclopropyl-1-(trifluoromethyl)urea?
1-cyclopropyl-1-(trifluoromethyl)urea has a molecular weight of 168.12 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(trifluoromethyl)urea is sourced from PubChem (CID 175891768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).