1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea

C11H13F3N2O2 — CID 47332046

IUPAC1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCOc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9-5-3-4-8(6-9)16-10(17)15-7-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyWQXVXCCXELAOSZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47332046) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID47332046
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCOc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-9-5-3-4-8(6-9)16-10(17)15-7-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17)
InChIKeyWQXVXCCXELAOSZ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120599
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 47332046) is 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea is CCOc1cccc(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is WQXVXCCXELAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-9-5-3-4-8(6-9)16-10(17)15-7-11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 262.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47332046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).