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

C6H11F3N2O2 — CID 111474094

IUPAC1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCO)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)1-2-10-5(13)11-3-4-12/h12H,1-4H2,(H2,10,11,13)
InChIKeyWZOKTMKSCQGMAB-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.23
Rot. Bonds4

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

1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea (PubChem CID 111474094) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
PubChem CID111474094
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCO)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)1-2-10-5(13)11-3-4-12/h12H,1-4H2,(H2,10,11,13)
InChIKeyWZOKTMKSCQGMAB-UHFFFAOYSA-N
XLogP0.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 63227638
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
2-ethyl-2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]butanoic acid
CID 115431150
1-(2,2,2-trifluoroethyl)-3-(5,5,5-trifluoropentyl)urea
CID 115758261
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
4-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]benzoic acid
CID 63227545
3-methyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 64701489
1-[1,3-bis(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propan-2-yl]-3-(2-hydroxyethyl)urea
CID 143166081
1-(2-hydroxy-2,3-dimethylpentyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509227

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea (CID 111474094) is 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea is O=C(NCCO)NCCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is WZOKTMKSCQGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c7-6(8,9)1-2-10-5(13)11-3-4-12/h12H,1-4H2,(H2,10,11,13).
What are the key properties of 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea?
1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 200.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 111474094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).