1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea

C10H10F4N2O — CID 155260598

IUPAC1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
SMILESCNC(=O)NCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H10F4N2O/c1-15-9(17)16-5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyZSCVAUSWBYOVOV-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.27
Rot. Bonds2

About 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea (PubChem CID 155260598) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
PubChem CID155260598
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
SMILESCNC(=O)NCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H10F4N2O/c1-15-9(17)16-5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,15,16,17)
InChIKeyZSCVAUSWBYOVOV-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
CID 143764399
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 110838402
7-[2-fluoro-6-(trifluoromethyl)phenyl]heptane-2,5-dione
CID 22387504
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744335
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
2-(2,3-difluorophenyl)-N,2-dimethylpropanamide
CID 168736963
1-[(2-chloro-6-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3793083

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea?
The IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea (CID 155260598) is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea?
The canonical SMILES for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea is CNC(=O)NCc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea?
The InChIKey is ZSCVAUSWBYOVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-15-9(17)16-5-6-7(10(12,13)14)3-2-4-8(6)11/h2-4H,5H2,1H3,(H2,15,16,17).
What are the key properties of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea?
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea has a molecular weight of 250.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea is sourced from PubChem (CID 155260598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).