1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea

C11H13F3N2O2 — CID 150416186

IUPAC1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
SMILESCN(CCOc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H13F3N2O2/c1-16(10(15)17)5-6-18-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H2,15,17)
InChIKeyHGVILBSORRGCPB-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea

1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea (PubChem CID 150416186) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
PubChem CID150416186
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
SMILESCN(CCOc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H13F3N2O2/c1-16(10(15)17)5-6-18-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H2,15,17)
InChIKeyHGVILBSORRGCPB-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
tert-butyl 3-[3-(trifluoromethyl)phenoxy]propanoate
CID 116659124
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenoxy]propyl]amino]propanoic acid
CID 122120229
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
2,2-dimethyl-4-[3-(trifluoromethyl)phenoxy]butanethioamide
CID 65247944
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea?
The IUPAC name of 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea (CID 150416186) is 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea.
What is the SMILES notation for 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea?
The canonical SMILES for 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea is CN(CCOc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea?
The InChIKey is HGVILBSORRGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(10(15)17)5-6-18-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3,(H2,15,17).
What are the key properties of 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea?
1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea has a molecular weight of 262.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea is sourced from PubChem (CID 150416186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).