1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea

C10H9F3N2O — CID 108909328

IUPAC1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O/c1-2-14-9(16)15-8-5-3-7(4-6-8)10(11,12)13/h2-6H,1H2,(H2,14,15,16)
InChIKeyHAAXSBVKAIKEGG-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.97
Rot. Bonds2

About 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea

1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108909328) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108909328
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3N2O/c1-2-14-9(16)15-8-5-3-7(4-6-8)10(11,12)13/h2-6H,1H2,(H2,14,15,16)
InChIKeyHAAXSBVKAIKEGG-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(ethenylcarbamoylamino)benzoic acid
CID 76851362
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
CID 108909133
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108905244
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 107847635
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea (CID 108909328) is 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea is C=CNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is HAAXSBVKAIKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-14-9(16)15-8-5-3-7(4-6-8)10(11,12)13/h2-6H,1H2,(H2,14,15,16).
What are the key properties of 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea?
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 230.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108909328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).