1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

C10H18F3N3O2 — CID 49134507

IUPAC1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCC(CO)NC(=O)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c1-7(5-17)14-9(18)15-8-2-3-16(4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15,18)
InChIKeyFFFXQOMUXPTYNM-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.30
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 49134507) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID49134507
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCC(CO)NC(=O)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c1-7(5-17)14-9(18)15-8-2-3-16(4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15,18)
InChIKeyFFFXQOMUXPTYNM-UHFFFAOYSA-N
XLogP0.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-1,4-dimethylimidazolidin-2-one
CID 13109359
1-(1-Hydroxypropan-2-yl)imidazolidin-2-one
CID 83815206
[1-(1,1,1-Trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid
CID 71015415
[1-(1,1,3-Trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid
CID 71015416
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583447
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-carboxamide
CID 138583552
1-Ethyl-3-[1-(3-hydroxypropyl)-4-(trifluoromethyl)pyrrolidin-3-yl]urea
CID 175926153
1-Ethyl-3-[3,3,3-trifluoro-2-[2-hydroxyethyl(methyl)amino]propyl]urea
CID 175926185
1-(2-Hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49117434
1-(2-Ethyl-2-hydroxybutyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134287
1-(1-Hydroxybutan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134901
1-[1-(2,2,2-Trifluoroethoxy)propan-2-yl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 56209602

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 49134507) is 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is CC(CO)NC(=O)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is FFFXQOMUXPTYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7(5-17)14-9(18)15-8-2-3-16(4-8)6-10(11,12)13/h7-8,17H,2-6H2,1H3,(H2,14,15,18).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
1-(1-hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 269.27 g/mol, XLogP of 0.30, 4 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-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 49134507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).