1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea

C11H13F3N2O2 — CID 113224218

IUPAC1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCOCc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-6-8-3-2-4-9(5-8)16-10(17)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17)
InChIKeyXYAXQFQMRSDDGJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113224218) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID113224218
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCOCc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-6-8-3-2-4-9(5-8)16-10(17)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17)
InChIKeyXYAXQFQMRSDDGJ-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
CID 74234598
2-[[[3-(methoxymethyl)phenyl]carbamoylamino]methyl]-3-methylbutanoic acid
CID 65220954
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
4-[[3-(methoxymethyl)phenyl]carbamoylamino]-2-methylbutanoic acid
CID 80541759
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
1-(3-ethynylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583941
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
methyl (2R)-2-methyl-3-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]propanoate
CID 97048361
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 113224218) is 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea is COCc1cccc(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XYAXQFQMRSDDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-18-6-8-3-2-4-9(5-8)16-10(17)15-7-11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 262.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113224218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).