1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea

C14H17F3N2O2 — CID 171134574

IUPAC1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-18-13(21)19(9-10-20)8-4-7-12-5-2-1-3-6-12/h1-7,20H,8-11H2,(H,18,21)
InChIKeyBIPGQYDFAUNXLX-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.27
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 171134574) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID171134574
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-18-13(21)19(9-10-20)8-4-7-12-5-2-1-3-6-12/h1-7,20H,8-11H2,(H,18,21)
InChIKeyBIPGQYDFAUNXLX-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
2-hydroxyethyl 3-[[(E)-3-phenylprop-2-enyl]-(2,2,2-trifluoroacetyl)amino]propanoate
CID 15252304
1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119068325
N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
CID 57194236
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
CID 50962725
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
3-butyl-1-[(E)-3-phenylprop-2-enyl]-1-(2-piperidin-1-ylethyl)urea
CID 42702437
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
CID 91940438

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea (CID 171134574) is 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CC=Cc1ccccc1)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BIPGQYDFAUNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-18-13(21)19(9-10-20)8-4-7-12-5-2-1-3-6-12/h1-7,20H,8-11H2,(H,18,21).
What are the key properties of 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 302.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 171134574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).