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

C10H10F4N2O — CID 114254796

IUPAC1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cccc(NC(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C10H10F4N2O/c1-6-3-2-4-7(8(6)11)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyNOQISVQUUWCTEK-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.82
Rot. Bonds2

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

1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 114254796) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID114254796
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cccc(NC(=O)NCC(F)(F)F)c1F
InChIInChI=1S/C10H10F4N2O/c1-6-3-2-4-7(8(6)11)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyNOQISVQUUWCTEK-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-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584022
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(2-methylphenyl)-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]urea
CID 95367469
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 40694690
1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 107598645

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 114254796) is 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is Cc1cccc(NC(=O)NCC(F)(F)F)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is NOQISVQUUWCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-6-3-2-4-7(8(6)11)16-9(17)15-5-10(12,13)14/h2-4H,5H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-fluoro-3-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-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 114254796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).