1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea

C10H10F4N2O — CID 115584022

IUPAC1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(F)cc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F4N2O/c1-6-2-3-7(11)4-8(6)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyMSSQJVJCFWLXTG-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.82
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115584022) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115584022
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1ccc(F)cc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F4N2O/c1-6-2-3-7(11)4-8(6)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyMSSQJVJCFWLXTG-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 115584022) is 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is Cc1ccc(F)cc1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MSSQJVJCFWLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-6-2-3-7(11)4-8(6)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 250.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115584022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).