1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea

C10H20F3N3O2 — CID 110895695

IUPAC1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
SMILESCC(CO)NC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-8(6-17)15-9(18)14-4-3-5-16(2)7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15,18)
InChIKeyFXABQPDZGAKWNK-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.55
Rot. Bonds7

About 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea

1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea (PubChem CID 110895695) has the molecular formula C10H20F3N3O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
PubChem CID110895695
Molecular FormulaC10H20F3N3O2
Molecular Weight271.28 g/mol
Exact Mass271.15
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
SMILESCC(CO)NC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O2/c1-8(6-17)15-9(18)14-4-3-5-16(2)7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15,18)
InChIKeyFXABQPDZGAKWNK-UHFFFAOYSA-N
XLogP0.55
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea (CID 110895695) is 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea is CC(CO)NC(=O)NCCCN(C)CC(F)(F)F.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
The InChIKey is FXABQPDZGAKWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2/c1-8(6-17)15-9(18)14-4-3-5-16(2)7-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea?
1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea has a molecular weight of 271.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea is sourced from PubChem (CID 110895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).