1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea

C10H11F3N2O2 — CID 58817774

IUPAC1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCCNC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-14-9(16)15-7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyFTRHOBHJHMOREE-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.73
Rot. Bonds3

About 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea

1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 58817774) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID58817774
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
SMILESCCNC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-2-14-9(16)15-7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyFTRHOBHJHMOREE-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
(2S)-2-hydroxy-3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107838256
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
methyl 6-[[3-(trifluoromethoxy)phenyl]carbamoylamino]hexanoate
CID 87007664
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea (CID 58817774) is 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea is CCNC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is FTRHOBHJHMOREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-14-9(16)15-7-4-3-5-8(6-7)17-10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea?
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 248.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 58817774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).