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

C9H16F3N3O2 — CID 49117434

IUPAC1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCO)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)6-15-3-1-7(5-15)14-8(17)13-2-4-16/h7,16H,1-6H2,(H2,13,14,17)
InChIKeyKYYLOAZFOXXQKP-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.09
Rot. Bonds4

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

1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 49117434) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID49117434
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCO)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)6-15-3-1-7(5-15)14-8(17)13-2-4-16/h7,16H,1-6H2,(H2,13,14,17)
InChIKeyKYYLOAZFOXXQKP-UHFFFAOYSA-N
XLogP-0.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[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
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-(1-Hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134507
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
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 60604758
1-(2-Methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60605131
1-(3-Methoxypropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60605150
2,2,2-Trifluoro-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]ethanone
CID 84056383
4-(Hydroxymethyl)-1-methyl-5-(trifluoromethyl)imidazolidin-2-one
CID 84073183

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 49117434) is 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is O=C(NCCO)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is KYYLOAZFOXXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)6-15-3-1-7(5-15)14-8(17)13-2-4-16/h7,16H,1-6H2,(H2,13,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 255.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 49117434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).