1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea

C12H15F3N2O3 — CID 75373343

IUPAC1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccccc1OCCO)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-11(19)16-7-9-3-1-2-4-10(9)20-6-5-18/h1-4,18H,5-8H2,(H2,16,17,19)
InChIKeyDOUMYQGKMLWDTF-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.42
Rot. Bonds6

About 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea

1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 75373343) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID75373343
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccccc1OCCO)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-11(19)16-7-9-3-1-2-4-10(9)20-6-5-18/h1-4,18H,5-8H2,(H2,16,17,19)
InChIKeyDOUMYQGKMLWDTF-UHFFFAOYSA-N
XLogP1.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457998
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2-(4-hydroxyphenoxy)acetamide
CID 155949616
1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458038
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea (CID 75373343) is 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1ccccc1OCCO)NCC(F)(F)F.
What is the InChIKey of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DOUMYQGKMLWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-11(19)16-7-9-3-1-2-4-10(9)20-6-5-18/h1-4,18H,5-8H2,(H2,16,17,19).
What are the key properties of 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 292.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 75373343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).