1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea

C12H15F3N2O — CID 115583957

IUPAC1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCCc1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-2-5-9-6-3-4-7-10(9)17-11(18)16-8-12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyUEBYLYOZRINMJJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115583957) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115583957
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCCc1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-2-5-9-6-3-4-7-10(9)17-11(18)16-8-12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18)
InChIKeyUEBYLYOZRINMJJ-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3-methyl-2-[[(2-propylphenyl)carbamoylamino]methyl]butanoic acid
CID 65220763
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
CID 72866555
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475443
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 115583957) is 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea is CCCc1ccccc1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is UEBYLYOZRINMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-5-9-6-3-4-7-10(9)17-11(18)16-8-12(13,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 260.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115583957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).