1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane

C6H13F3N2O2 — CID 143473747

IUPAC1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane
SMILESCC(CO)NC(N)=O.CC(F)(F)F
InChIInChI=1S/C4H10N2O2.C2H3F3/c1-3(2-7)6-4(5)8;1-2(3,4)5/h3,7H,2H2,1H3,(H3,5,6,8);1H3
InChIKeyURCJOYNGZLGEIO-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.60
Rot. Bonds2

About 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane

1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane (PubChem CID 143473747) has the molecular formula C6H13F3N2O2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane.

Molecular Properties

Compound Name1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane
PubChem CID143473747
Molecular FormulaC6H13F3N2O2
Molecular Weight202.18 g/mol
Exact Mass202.09
IUPAC Name1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane
SMILESCC(CO)NC(N)=O.CC(F)(F)F
InChIInChI=1S/C4H10N2O2.C2H3F3/c1-3(2-7)6-4(5)8;1-2(3,4)5/h3,7H,2H2,1H3,(H3,5,6,8);1H3
InChIKeyURCJOYNGZLGEIO-UHFFFAOYSA-N
XLogP0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane?
The IUPAC name of 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane (CID 143473747) is 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane.
What is the SMILES notation for 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane?
The canonical SMILES for 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane is CC(CO)NC(N)=O.CC(F)(F)F.
What is the InChIKey of 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane?
The InChIKey is URCJOYNGZLGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C2H3F3/c1-3(2-7)6-4(5)8;1-2(3,4)5/h3,7H,2H2,1H3,(H3,5,6,8);1H3.
What are the key properties of 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane?
1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane has a molecular weight of 202.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-ylurea;1,1,1-trifluoroethane is sourced from PubChem (CID 143473747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).