1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

C16H14F4N2O2 — CID 112970275

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccccc1F)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O2/c17-13-6-1-2-7-14(13)24-9-8-21-15(23)22-12-5-3-4-11(10-12)16(18,19)20/h1-7,10H,8-9H2,(H2,21,22,23)
InChIKeyCJBDUQRKJYZWKZ-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.05
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 112970275) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID112970275
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCOc1ccccc1F)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4N2O2/c17-13-6-1-2-7-14(13)24-9-8-21-15(23)22-12-5-3-4-11(10-12)16(18,19)20/h1-7,10H,8-9H2,(H2,21,22,23)
InChIKeyCJBDUQRKJYZWKZ-UHFFFAOYSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
1-(6-aminohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 107844330
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 112970275) is 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCCOc1ccccc1F)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CJBDUQRKJYZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-13-6-1-2-7-14(13)24-9-8-21-15(23)22-12-5-3-4-11(10-12)16(18,19)20/h1-7,10H,8-9H2,(H2,21,22,23).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 342.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 112970275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).