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

C6H7Cl2F3N2O — CID 154733914

IUPAC1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC=C(Cl)Cl)NCC(F)(F)F
InChIInChI=1S/C6H7Cl2F3N2O/c7-4(8)1-2-12-5(14)13-3-6(9,10)11/h1H,2-3H2,(H2,12,13,14)
InChIKeyPNHSFURDJFJFNH-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.17
Rot. Bonds3

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

1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 154733914) has the molecular formula C6H7Cl2F3N2O and a molecular weight of 251.04 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID154733914
Molecular FormulaC6H7Cl2F3N2O
Molecular Weight251.04 g/mol
Exact Mass249.99
IUPAC Name1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC=C(Cl)Cl)NCC(F)(F)F
InChIInChI=1S/C6H7Cl2F3N2O/c7-4(8)1-2-12-5(14)13-3-6(9,10)11/h1H,2-3H2,(H2,12,13,14)
InChIKeyPNHSFURDJFJFNH-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
2-methyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 62669013
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
3-methyl-4-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 81072308
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(2-ethyl-2-methylsulfanylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 113245448
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
1-(2,2,2-trifluoroethyl)-3-(2,3,3-trimethylbutyl)urea
CID 115629640
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea (CID 154733914) is 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC=C(Cl)Cl)NCC(F)(F)F.
What is the InChIKey of 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PNHSFURDJFJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2F3N2O/c7-4(8)1-2-12-5(14)13-3-6(9,10)11/h1H,2-3H2,(H2,12,13,14).
What are the key properties of 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 251.04 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloroprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 154733914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).