1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea

C6H8F6N2O — CID 115662977

IUPAC1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCC(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C6H8F6N2O/c7-5(8,9)1-2-13-4(15)14-3-6(10,11)12/h1-3H2,(H2,13,14,15)
InChIKeyWYVXVECVPLFIRY-UHFFFAOYSA-N
MW238.13 g/mol
LogP1.80
Rot. Bonds3

About 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea

1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea (PubChem CID 115662977) has the molecular formula C6H8F6N2O and a molecular weight of 238.13 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
PubChem CID115662977
Molecular FormulaC6H8F6N2O
Molecular Weight238.13 g/mol
Exact Mass238.05
IUPAC Name1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCC(F)(F)F)NCC(F)(F)F
InChIInChI=1S/C6H8F6N2O/c7-5(8,9)1-2-13-4(15)14-3-6(10,11)12/h1-3H2,(H2,13,14,15)
InChIKeyWYVXVECVPLFIRY-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
CID 111474094
3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 63227638
1-(2-hydroxy-2,3-dimethylpentyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509227
2-ethyl-2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]butanoic acid
CID 115431150
1-amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
4-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227541
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223589
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
CID 103816384
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea (CID 115662977) is 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea is O=C(NCCC(F)(F)F)NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is WYVXVECVPLFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N2O/c7-5(8,9)1-2-13-4(15)14-3-6(10,11)12/h1-3H2,(H2,13,14,15).
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea?
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 238.13 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 115662977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).