1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea

C11H13F3N2O3 — CID 47237417

IUPAC1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(NCCO)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-19-9-3-1-2-8(6-9)16-10(18)15-4-5-17/h1-3,6,17H,4-5,7H2,(H2,15,16,18)
InChIKeyGSCUOLOTEQQDPB-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.74
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea

1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea (PubChem CID 47237417) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
PubChem CID47237417
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
SMILESO=C(NCCO)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)7-19-9-3-1-2-8(6-9)16-10(18)15-4-5-17/h1-3,6,17H,4-5,7H2,(H2,15,16,18)
InChIKeyGSCUOLOTEQQDPB-UHFFFAOYSA-N
XLogP1.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60548052
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
1-[[3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 146134415
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
N-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carbothioamide
CID 14510226

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea (CID 47237417) is 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea is O=C(NCCO)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
The InChIKey is GSCUOLOTEQQDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)7-19-9-3-1-2-8(6-9)16-10(18)15-4-5-17/h1-3,6,17H,4-5,7H2,(H2,15,16,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea?
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea has a molecular weight of 278.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea is sourced from PubChem (CID 47237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).