1,1-diethyl-3-(3,3,3-trifluoropropyl)urea

C8H15F3N2O — CID 115650872

IUPAC1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
SMILESCCN(CC)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-13(4-2)7(14)12-6-5-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyODLQIVVYEDHTGJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.99
Rot. Bonds4

About 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea

1,1-diethyl-3-(3,3,3-trifluoropropyl)urea (PubChem CID 115650872) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
PubChem CID115650872
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
SMILESCCN(CC)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-13(4-2)7(14)12-6-5-8(9,10)11/h3-6H2,1-2H3,(H,12,14)
InChIKeyODLQIVVYEDHTGJ-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227857
1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea
CID 110292916
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
4-[[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 122022763
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
CID 110369964

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea (CID 115650872) is 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea is CCN(CC)C(=O)NCCC(F)(F)F.
What is the InChIKey of 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is ODLQIVVYEDHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-13(4-2)7(14)12-6-5-8(9,10)11/h3-6H2,1-2H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea?
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 212.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 115650872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).