1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea

C11H11F3N2O — CID 108910439

IUPAC1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=C(C)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7(2)15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,1H2,2H3,(H2,15,16,17)
InChIKeyJUGHWRPSMMRTPP-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.36
Rot. Bonds2

About 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea

1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108910439) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108910439
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=C(C)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-7(2)15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,1H2,2H3,(H2,15,16,17)
InChIKeyJUGHWRPSMMRTPP-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
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1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
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1-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
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1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea (CID 108910439) is 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea is C=C(C)NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is JUGHWRPSMMRTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7(2)15-10(17)16-9-5-3-8(4-6-9)11(12,13)14/h3-6H,1H2,2H3,(H2,15,16,17).
What are the key properties of 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea?
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 244.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108910439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).