1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea

C11H11F3N2O — CID 52591377

IUPAC1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESC=CCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-2-7-15-10(17)16-9-6-4-3-5-8(9)11(12,13)14/h2-6H,1,7H2,(H2,15,16,17)
InChIKeyBWLHFVHHOOTFJZ-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.01
Rot. Bonds3

About 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea

1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 52591377) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID52591377
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESC=CCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-2-7-15-10(17)16-9-6-4-3-5-8(9)11(12,13)14/h2-6H,1,7H2,(H2,15,16,17)
InChIKeyBWLHFVHHOOTFJZ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000430
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
5-(prop-2-enylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224282
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067079
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea (CID 52591377) is 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea is C=CCNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is BWLHFVHHOOTFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-2-7-15-10(17)16-9-6-4-3-5-8(9)11(12,13)14/h2-6H,1,7H2,(H2,15,16,17).
What are the key properties of 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea?
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 244.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 52591377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).