1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O2 — CID 106613506

IUPAC1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)CC1CCCN1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-15-9(18)16(4-5-17)6-8-2-1-3-14-8/h8,14,17H,1-7H2,(H,15,18)
InChIKeyGQJNDPURHDKDQA-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.30
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 106613506) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID106613506
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)CC1CCCN1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-15-9(18)16(4-5-17)6-8-2-1-3-14-8/h8,14,17H,1-7H2,(H,15,18)
InChIKeyGQJNDPURHDKDQA-UHFFFAOYSA-N
XLogP0.30
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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-(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-(2-Methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60605131
3-(1-Cyclopentylpyrrolidin-3-yl)-1-(2,2-difluoroethyl)-1-(2-methoxyethyl)urea
CID 72008237
1-(2-methoxyethyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 94744591
1-(2-methoxyethyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 94744592
3-[(3R)-1-cyclopentylpyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-(2-methoxyethyl)urea
CID 96332348
3-[(3S)-1-cyclopentylpyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-(2-methoxyethyl)urea
CID 96332349
(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103631549
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea (CID 106613506) is 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCO)CC1CCCN1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GQJNDPURHDKDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7-15-9(18)16(4-5-17)6-8-2-1-3-14-8/h8,14,17H,1-7H2,(H,15,18).
What are the key properties of 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 269.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 106613506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).