1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea

C13H15F5N2O — CID 71046474

IUPAC1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea
SMILESCC(F)(F)C(C)(NC(=O)Nc1ccccc1F)C(C)(F)F
InChIInChI=1S/C13H15F5N2O/c1-11(12(2,15)16,13(3,17)18)20-10(21)19-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H2,19,20,21)
InChIKeyWYODWSUXMYBUGF-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea

1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea (PubChem CID 71046474) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea
PubChem CID71046474
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea
SMILESCC(F)(F)C(C)(NC(=O)Nc1ccccc1F)C(C)(F)F
InChIInChI=1S/C13H15F5N2O/c1-11(12(2,15)16,13(3,17)18)20-10(21)19-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H2,19,20,21)
InChIKeyWYODWSUXMYBUGF-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898
1-[(E)-2,2-dimethylpropylideneamino]-3-(2-fluorophenyl)urea
CID 131990795
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
1-ethenyl-3-(2-fluorophenyl)urea
CID 108909167
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea (CID 71046474) is 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea is CC(F)(F)C(C)(NC(=O)Nc1ccccc1F)C(C)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea?
The InChIKey is WYODWSUXMYBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-11(12(2,15)16,13(3,17)18)20-10(21)19-9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea?
1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea has a molecular weight of 310.27 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea is sourced from PubChem (CID 71046474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).