ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea

C7H15F3N2O2 — CID 166119207

IUPACethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea
SMILESCC.CNC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2.C2H6/c1-9-4(12)10-3(2-11)5(6,7)8;1-2/h3,11H,2H2,1H3,(H2,9,10,12);1-2H3
InChIKeyHGFWJXVMTOSVFF-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.86
Rot. Bonds2

About ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea

ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea (PubChem CID 166119207) has the molecular formula C7H15F3N2O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Nameethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea
PubChem CID166119207
Molecular FormulaC7H15F3N2O2
Molecular Weight216.20 g/mol
Exact Mass216.11
IUPAC Nameethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea
SMILESCC.CNC(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2.C2H6/c1-9-4(12)10-3(2-11)5(6,7)8;1-2/h3,11H,2H2,1H3,(H2,9,10,12);1-2H3
InChIKeyHGFWJXVMTOSVFF-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea?
The IUPAC name of ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea (CID 166119207) is ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea.
What is the SMILES notation for ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea?
The canonical SMILES for ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea is CC.CNC(=O)NC(CO)C(F)(F)F.
What is the InChIKey of ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea?
The InChIKey is HGFWJXVMTOSVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2.C2H6/c1-9-4(12)10-3(2-11)5(6,7)8;1-2/h3,11H,2H2,1H3,(H2,9,10,12);1-2H3.
What are the key properties of ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea?
ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea has a molecular weight of 216.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)urea is sourced from PubChem (CID 166119207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).