1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea

C6H9F3N2O — CID 115575971

IUPAC1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
SMILESC=CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2H,1,3-4H2,(H2,10,11,12)
InChIKeyOGEMSGGFBJCJCF-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.03
Rot. Bonds3

About 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea

1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115575971) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115575971
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
SMILESC=CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2H,1,3-4H2,(H2,10,11,12)
InChIKeyOGEMSGGFBJCJCF-UHFFFAOYSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 154733914
2,2,2-trifluoro-N-(prop-2-enylcarbamoyl)acetamide
CID 71671954
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 86780784
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-prop-2-enylurea
CID 87348247
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea (CID 115575971) is 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea is C=CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OGEMSGGFBJCJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-2-3-10-5(12)11-4-6(7,8)9/h2H,1,3-4H2,(H2,10,11,12).
What are the key properties of 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea?
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 182.14 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115575971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).